[CP2K-user] [CP2K:18582] large fluctuations of the dipole moment
Wei Chen
chenweiitp at gmail.com
Tue Mar 28 03:06:00 UTC 2023
Dear CP2K users,
I am trying to calculate the dipole moment of BCC iron. But I got large
fluctuations of the dipole moment based on the periodic (Berry phase)
operator CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MOMENTS. I tried different
reference points, but it does not help.
The full input file, atomic coordinates and output file are all attached.
Thank you very much for your help！
Best wishes，
Wei
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/ab902190-2e91-45b1-b40a-3d584875aa36n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230327/dd879c0f/attachment-0001.htm>
-------------- next part --------------
Reference Point [Bohr] 1.35258825 1.35258825 1.35258825
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.65734552 Y= -15.96809240 Z= 13.00941301 Total= 22.74838729
Reference Point [Bohr] 0.16907491 -0.00000011 -0.16907361
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.97645478 Y= -2.42971024 Z= 6.36052015 Total= 6.87845712
Reference Point [Bohr] 0.16908217 0.00000091 -0.16907778
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.07686806 Y= 27.43087861 Z= -17.99064285 Total= 34.62388391
Reference Point [Bohr] 0.16909178 0.16906679 -0.00001651
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.13150262 Y= -15.20157414 Z= -26.55829930 Total= 32.91814810
Reference Point [Bohr] 0.33817322 0.16903796 -0.00004762
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.42620252 Y= 22.94592470 Z= -19.63340082 Total= 30.87526465
Reference Point [Bohr] 0.33817795 0.33805675 -0.00010380
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.24390582 Y= 7.83653571 Z= 4.17235624 Total= 16.78418009
Reference Point [Bohr] 0.33818893 0.33798037 -0.16925815
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.88140619 Y= 16.83336939 Z= 17.21165368 Total= 24.09108185
Reference Point [Bohr] 0.33821474 -0.00025230 -0.33843260
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.08851855 Y= -13.17772913 Z= -5.51395402 Total= 30.62423993
Reference Point [Bohr] 0.33824854 0.16873489 -0.33853982
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.64993674 Y= -8.75538683 Z= -2.79151324 Total= 23.51954731
Reference Point [Bohr] 0.16919606 0.16864888 -0.00049394
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.61772343 Y= 17.16787474 Z= -12.57854777 Total= 34.08018467
Reference Point [Bohr] 0.16919241 0.16856134 -0.16964880
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.35720829 Y= -5.06915335 Z= 13.90618665 Total= 16.10876904
Reference Point [Bohr] 0.16917167 0.16847212 -0.00062959
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.40482519 Y= -23.59526559 Z= -7.46688037 Total= 24.86511703
Reference Point [Bohr] 0.00007137 0.16837595 -0.00067133
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.59586953 Y= -12.29259590 Z= -2.64983295 Total= 26.73751273
Reference Point [Bohr] 0.00004101 -0.00080871 -0.00072892
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.98115659 Y= 19.34211808 Z= 5.72836334 Total= 24.54392833
Reference Point [Bohr] 0.00000010 -0.00093276 -0.00081862
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.27585844 Y= -3.67975898 Z= 7.29960265 Total= 8.80659262
Reference Point [Bohr] -0.33820792 -0.00105628 0.16815452
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.20958329 Y= -21.09151908 Z= 10.06313491 Total= 23.58856262
Reference Point [Bohr] -0.33829680 -0.17023752 0.16806713
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.58860872 Y= 7.40201499 Z= 8.31778059 Total= 11.69843632
Reference Point [Bohr] -0.33841863 -0.17032984 0.16798320
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.69282339 Y= -19.30269105 Z= 3.35089587 Total= 19.66438496
Reference Point [Bohr] -0.33856820 -0.17041592 0.16787011
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.50305498 Y= -16.65733585 Z= -25.63815526 Total= 30.77423008
Reference Point [Bohr] -0.50779662 -0.17047864 -0.17044052
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.82445763 Y= 21.42025209 Z= -3.35690947 Total= 24.23354955
Reference Point [Bohr] -0.50793257 -0.33956474 -0.17064356
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.35770457 Y= 17.98105106 Z= 9.54315766 Total= 30.98342166
Reference Point [Bohr] -0.50805673 -0.17045760 -0.17086299
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.99151314 Y= -8.79349330 Z= 9.74731521 Total= 23.91644363
Reference Point [Bohr] -0.33912236 -0.17041059 -0.17108987
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.06375468 Y= 7.49696478 Z= -17.20316473 Total= 31.31046401
Reference Point [Bohr] -0.33927656 -0.17038139 -0.00225053
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.96216707 Y= 23.64447467 Z= -4.41644578 Total= 26.43360139
Reference Point [Bohr] -0.33942192 -0.17037603 -0.00249738
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.96228252 Y= -19.36786297 Z= 26.18073217 Total= 35.43289695
Reference Point [Bohr] -0.17047804 -0.17037909 -0.00275385
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.70668828 Y= 4.74632255 Z= -0.63408944 Total= 24.18546498
Reference Point [Bohr] -0.17059982 -0.33945531 -0.17207034
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.56829418 Y= -3.50278236 Z= -0.87866381 Total= 6.63682412
Reference Point [Bohr] -0.00165181 -0.33946780 -0.00320146
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.93812704 Y= -23.20190343 Z= 23.55584771 Total= 33.78378148
Reference Point [Bohr] -0.00180089 -0.17043127 -0.00337051
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.20273967 Y= -16.57831375 Z= 21.42250981 Total= 28.60864958
Reference Point [Bohr] -0.00198801 -0.17050174 -0.00352623
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.72874681 Y= 16.17406797 Z= -9.06636213 Total= 24.31445811
Reference Point [Bohr] -0.00220251 -0.17060516 -0.00368956
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.99491396 Y= 20.69726629 Z= -15.80270579 Total= 26.21205547
Reference Point [Bohr] -0.34057702 -0.17072674 -0.00386729
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.87222043 Y= 25.16624880 Z= 20.77298061 Total= 35.45836011
Reference Point [Bohr] -0.34079954 -0.17084888 -0.00404364
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.33575347 Y= 1.77332281 Z= 8.95318180 Total= 22.29006521
Reference Point [Bohr] -0.34100926 -0.17096035 -0.00420071
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.42932325 Y= -22.62355306 Z= -25.62132497 Total= 34.46587226
Reference Point [Bohr] -0.34121171 -0.17105003 -0.00434251
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.07692325 Y= 9.05246051 Z= 27.08297996 Total= 28.84538348
Reference Point [Bohr] -0.34141362 -0.17110536 -0.00448483
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.19900310 Y= 15.23104418 Z= -27.00363443 Total= 31.43581735
Reference Point [Bohr] -0.34163265 -0.17111982 0.16444642
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.18992650 Y= -9.29051126 Z= -27.17731602 Total= 34.54234191
Reference Point [Bohr] -0.34188386 -0.17109554 0.16431790
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.79973902 Y= 18.94231614 Z= -1.44876060 Total= 22.90728196
Reference Point [Bohr] -0.17307632 -0.17102867 0.16420123
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.33756357 Y= 17.01677941 Z= -3.88213358 Total= 23.23537387
Reference Point [Bohr] -0.17333719 -0.17092566 0.16408328
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.93592561 Y= 12.33344749 Z= -6.23906913 Total= 21.86013464
Reference Point [Bohr] -0.00451870 -0.17080360 0.16395581
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.05077135 Y= 18.14086290 Z= -13.02457614 Total= 24.48976307
Reference Point [Bohr] -0.00474969 -0.17066285 0.16382349
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.19445851 Y= 19.01561026 Z= -14.06661445 Total= 27.08425393
Reference Point [Bohr] -0.00492678 -0.17048503 0.16370008
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.45262817 Y= 22.97735058 Z= 9.64756452 Total= 28.80820373
Reference Point [Bohr] -0.00504685 -0.17026166 0.16359522
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.03594094 Y= 27.33374233 Z= 5.82136488 Total= 31.27346154
Reference Point [Bohr] -0.00513638 -0.17002342 0.16351293
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.95647484 Y= 3.50776049 Z= 2.97733279 Total= 11.88331751
Reference Point [Bohr] -0.00522468 -0.16979466 0.16345714
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.55694655 Y= 6.98263681 Z= 1.80587841 Total= 10.44633212
Reference Point [Bohr] -0.00532256 -0.16957246 0.16342884
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.15810623 Y= -17.09786953 Z= 2.19370675 Total= 30.49720972
Reference Point [Bohr] -0.00542943 -0.16934566 0.16342110
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.58698206 Y= -15.99148903 Z= -27.16374258 Total= 37.11127186
Reference Point [Bohr] -0.00555474 -0.16911218 0.16341405
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.27285293 Y= -16.90539634 Z= 20.19352124 Total= 28.64695339
Reference Point [Bohr] 0.16336302 -0.16889039 0.16339091
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.59080136 Y= 10.03834186 Z= 15.35011788 Total= 22.82770921
Reference Point [Bohr] 0.16318887 -0.16868886 0.16335458
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.67332890 Y= 10.71087107 Z= 13.54145022 Total= 21.41744379
Reference Point [Bohr] 0.16302338 0.00057108 0.16331982
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.36809694 Y= -16.96554496 Z= -14.28523635 Total= 25.89601725
Reference Point [Bohr] 0.16288246 0.00073389 -0.00576920
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.99729618 Y= -19.06907070 Z= 7.88600016 Total= 22.92955270
Reference Point [Bohr] 0.16277042 0.00087983 -0.00575840
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.62356499 Y= 4.05056428 Z= -10.41625180 Total= 27.04117833
Reference Point [Bohr] 0.33175475 -0.16805294 -0.17481284
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.70485237 Y= -0.32331433 Z= 20.08783677 Total= 26.77848980
Reference Point [Bohr] 0.33166755 -0.16791323 -0.17479820
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.33901547 Y= -2.52367278 Z= -4.46387366 Total= 14.29071119
Reference Point [Bohr] 0.33156967 -0.16776847 -0.17477545
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.54872489 Y= 25.24937932 Z= -6.55899590 Total= 26.67095670
Reference Point [Bohr] 0.33146647 -0.16761969 -0.17474521
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.95547937 Y= 0.44404279 Z= -9.17074523 Total= 15.07425717
Reference Point [Bohr] 0.33135541 -0.16747954 -0.17472495
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.07583042 Y= -23.58336742 Z= -8.13741707 Total= 33.98362437
Reference Point [Bohr] 0.33122486 -0.16736637 -0.17471298
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.14608126 Y= -21.54100657 Z= -26.87973072 Total= 42.06623501
Reference Point [Bohr] 0.33107515 -0.16727742 -0.17468641
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.94995454 Y= -19.80170941 Z= -16.01963214 Total= 32.35331506
Reference Point [Bohr] 0.33093346 -0.16717725 -0.00556002
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.85151391 Y= -13.52553346 Z= 16.86382661 Total= 28.03578521
Reference Point [Bohr] 0.33081969 -0.16704480 -0.00547905
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.71861802 Y= -2.75094685 Z= 20.16733514 Total= 26.34010827
Reference Point [Bohr] 0.16164684 -0.16688263 -0.00537053
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.87333969 Y= -23.97327141 Z= -5.15645497 Total= 29.76602698
Reference Point [Bohr] 0.16153967 -0.33577385 -0.00524226
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.83231806 Y= -20.02609481 Z= -2.72281917 Total= 27.62452572
Reference Point [Bohr] 0.16141497 -0.33557890 0.16397540
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.18592544 Y= 10.59390103 Z= -27.45887194 Total= 40.06613195
Reference Point [Bohr] -0.00779915 -0.33536981 0.16413959
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.03640044 Y= -13.36992280 Z= 1.48495000 Total= 23.30975019
Reference Point [Bohr] -0.17702583 -0.33514412 0.16431461
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.91273874 Y= -6.71601011 Z= -24.83602682 Total= 27.94675091
Reference Point [Bohr] -0.17718930 -0.33490158 0.16447339
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.78939243 Y= 27.32273750 Z= -23.20697907 Total= 38.40889487
Reference Point [Bohr] -0.17736256 -0.33464380 0.16461433
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.41568804 Y= 14.82145947 Z= 5.33843713 Total= 18.88547403
Reference Point [Bohr] -0.17754576 -0.33437733 0.16475369
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.28553177 Y= 3.93416171 Z= -24.48582955 Total= 30.22950687
Reference Point [Bohr] -0.00867083 -0.33410517 0.16488141
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.06178645 Y= -0.38583357 Z= 3.00923722 Total= 10.50923036
Reference Point [Bohr] -0.00888042 -0.33381424 0.16497495
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.20687482 Y= -3.36454269 Z= 2.92313210 Total= 18.74446957
Reference Point [Bohr] -0.00908927 -0.33349097 0.16503414
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.26247681 Y= 9.09581407 Z= 0.47733745 Total= 10.51928452
Reference Point [Bohr] -0.17835924 -0.33315462 0.16507402
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.42951850 Y= -3.44677226 Z= -2.69460207 Total= 9.49725757
Reference Point [Bohr] -0.17850881 -0.33282561 0.16511667
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.14310333 Y= -9.46512788 Z= 18.07664422 Total= 21.61891851
Reference Point [Bohr] -0.00951094 -0.33249986 0.16517624
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.10309193 Y= -12.69965077 Z= -5.26585695 Total= 24.35456188
Reference Point [Bohr] 0.15953864 -0.16310719 0.16524156
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.94638676 Y= 14.01770353 Z= 19.21733788 Total= 25.07881875
Reference Point [Bohr] 0.15952293 -0.16279971 0.33436649
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.98265106 Y= -11.64317855 Z= -9.18578407 Total= 16.39206063
Reference Point [Bohr] 0.15949547 -0.16251033 0.16532501
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.38944704 Y= 20.40951444 Z= -8.13279235 Total= 22.62159876
Reference Point [Bohr] 0.15945138 0.00682314 0.16535811
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.40413034 Y= 25.68992815 Z= 22.71143101 Total= 42.08732689
Reference Point [Bohr] 0.15939034 0.00706469 0.16542076
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.21216694 Y= 24.52619736 Z= 26.33174178 Total= 36.36016592
Reference Point [Bohr] 0.32840510 0.17639014 0.16551353
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.70897748 Y= 8.21737724 Z= -13.12293243 Total= 22.77995990
Reference Point [Bohr] 0.15928263 0.17666805 0.16562448
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.92979993 Y= -20.12963560 Z= -10.84896466 Total= 34.57248600
Reference Point [Bohr] 0.15923413 0.17697005 0.16576237
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.53431424 Y= 3.18853312 Z= -5.94701366 Total= 10.11432677
Reference Point [Bohr] 0.15918710 0.17729214 0.16593434
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.92889570 Y= -4.01728792 Z= 2.51889724 Total= 22.43568390
Reference Point [Bohr] 0.15912026 0.00856096 0.16612544
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.13557711 Y= -16.12108123 Z= -0.69695198 Total= 26.59111923
Reference Point [Bohr] 0.15900147 0.00891547 -0.00275139
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.47412312 Y= 2.29697847 Z= -26.20934819 Total= 37.32405709
Reference Point [Bohr] 0.32790919 -0.15980874 -0.00255268
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.39002151 Y= 25.86082268 Z= 27.13924247 Total= 39.48206257
Reference Point [Bohr] 0.15864743 -0.15946862 -0.00234581
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.31714830 Y= 25.32629038 Z= -20.39006962 Total= 41.83023091
Reference Point [Bohr] 0.15844743 -0.15911836 -0.00212999
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.39933390 Y= -0.85525603 Z= 11.39846828 Total= 23.38352766
Reference Point [Bohr] 0.15824598 -0.32781647 -0.00192227
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.48166757 Y= 0.61800417 Z= -13.68470122 Total= 18.53226921
Reference Point [Bohr] 0.15805200 -0.15835609 0.16734750
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.47875014 Y= -25.51743596 Z= 16.16309216 Total= 32.31326029
Reference Point [Bohr] -0.01120878 -0.15798716 0.16754822
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.00830295 Y= 2.59505000 Z= -9.12157535 Total= 13.08002078
Reference Point [Bohr] -0.01139296 -0.15764967 0.16774511
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.01835357 Y= 3.28758145 Z= -7.66090854 Total= 10.89747670
Reference Point [Bohr] -0.18067141 -0.15732513 0.33697440
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.55842638 Y= 5.09837542 Z= -7.56685869 Total= 24.33379098
Reference Point [Bohr] -0.18092053 -0.15699455 0.33707562
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.62802071 Y= -20.11465229 Z= -8.83462122 Total= 30.13577620
Reference Point [Bohr] -0.18121016 -0.15665709 0.33714341
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.40197439 Y= 14.64260619 Z= -9.46065993 Total= 21.39436774
Reference Point [Bohr] -0.18152164 -0.15630451 0.33718557
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.94918393 Y= 20.17580533 Z= -3.21826067 Total= 28.55503917
Reference Point [Bohr] -0.18183856 -0.15591945 0.33719281
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.94299604 Y= 18.95193085 Z= 25.96022789 Total= 32.51987584
Reference Point [Bohr] -0.18214693 -0.32455742 0.33716676
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.61421246 Y= 8.89455844 Z= 23.20654237 Total= 25.11412572
Reference Point [Bohr] -0.01335814 -0.32406489 0.16804815
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.84457088 Y= 22.99317570 Z= -7.45292362 Total= 31.91752394
Reference Point [Bohr] -0.18268692 -0.15447326 0.16799378
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.26498300 Y= 21.92043286 Z= 17.76599551 Total= 34.16541443
Reference Point [Bohr] 0.15522123 0.01511971 -0.17021299
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.44092374 Y= 20.33303147 Z= 15.48840537 Total= 30.94363732
Reference Point [Bohr] 0.15498102 0.01564287 -0.17026132
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.81323970 Y= -8.48001142 Z= -15.90525152 Total= 22.70887955
Reference Point [Bohr] -0.01433867 0.01615699 -0.17028722
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.11527060 Y= -22.50161834 Z= -25.63964189 Total= 38.62482483
Reference Point [Bohr] -0.01459511 0.01664973 -0.17030770
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.36182917 Y= -2.67357007 Z= 15.58159521 Total= 25.77863792
Reference Point [Bohr] -0.01486951 0.01712425 -0.17034848
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.20616735 Y= -11.32478318 Z= -9.99031605 Total= 23.65421017
Reference Point [Bohr] 0.15392191 0.01759235 -0.17040842
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.23298348 Y= 8.86513883 Z= -16.65451021 Total= 26.94199418
Reference Point [Bohr] -0.01543494 0.01807134 -0.33953123
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.08431244 Y= -27.27241678 Z= -21.94917096 Total= 35.71747900
Reference Point [Bohr] -0.01572087 0.01857038 -0.17047770
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.27728701 Y= -6.24833692 Z= 8.91841780 Total= 20.42264765
Reference Point [Bohr] -0.01600824 0.01907176 -0.17046243
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.72698224 Y= -16.90458918 Z= -3.36418678 Total= 19.31950069
Reference Point [Bohr] -0.01629923 0.01954154 -0.17040801
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.67903607 Y= -20.71350757 Z= -5.34142320 Total= 25.94329004
Reference Point [Bohr] -0.01660623 0.01996371 -0.17033323
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.32351024 Y= 4.38988000 Z= -6.91903687 Total= 19.16371897
Reference Point [Bohr] 0.15212721 0.02035969 -0.17024480
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.50020818 Y= -27.03934586 Z= -26.24541895 Total= 39.70142875
Reference Point [Bohr] 0.15175174 0.02075292 -0.17011532
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.95727876 Y= -3.61545803 Z= -24.61814093 Total= 31.89698066
Reference Point [Bohr] 0.15134962 0.02114921 -0.16993375
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.19134344 Y= 16.70407218 Z= -25.53591532 Total= 31.59441574
Reference Point [Bohr] 0.15092954 0.02155453 -0.16970664
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.09420719 Y= -21.02907940 Z= -24.80900936 Total= 34.05293151
Reference Point [Bohr] 0.15050410 0.02197343 -0.00036052
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.18751763 Y= 2.97832231 Z= -21.87603397 Total= 26.24341675
Reference Point [Bohr] 0.15008273 0.02238877 -0.00005055
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.82252042 Y= -22.13190078 Z= 6.81457527 Total= 24.14138051
Reference Point [Bohr] 0.31873617 0.02277848 0.16934515
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.13796884 Y= -15.46961674 Z= 1.52468511 Total= 16.37169602
Reference Point [Bohr] 0.31831086 0.02314569 0.16966682
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.31144216 Y= 27.31410743 Z= -9.07823802 Total= 29.69734090
Reference Point [Bohr] 0.31787517 0.02351314 0.16999270
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.47203659 Y= -20.77746962 Z= 21.70277703 Total= 40.04350753
Reference Point [Bohr] 0.31741648 0.02390421 0.17032215
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.36915133 Y= 2.14374610 Z= -6.98526401 Total= 12.68498561
Reference Point [Bohr] 0.14786223 0.02432581 0.17064348
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.56003962 Y= 10.06675403 Z= 16.99528362 Total= 29.24063116
Reference Point [Bohr] -0.02170932 0.02477476 0.17094623
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.60392072 Y= 17.19900828 Z= 17.22116970 Total= 25.21876961
Reference Point [Bohr] -0.02221389 0.19430270 0.17124391
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.03870734 Y= -1.97672238 Z= 18.18740117 Total= 27.13372043
Reference Point [Bohr] 0.14636740 0.19473792 0.17154881
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.26804882 Y= -6.56240368 Z= -8.46742306 Total= 20.32111969
Reference Point [Bohr] 0.14588597 0.02607997 0.17184230
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.48294892 Y= -5.58104873 Z= -10.96664038 Total= 18.25390966
Reference Point [Bohr] 0.14540410 0.02648687 0.34118577
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.11808392 Y= -9.65976659 Z= -5.25616007 Total= 19.51232787
Reference Point [Bohr] 0.14493428 -0.14217603 0.17236383
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.34348291 Y= -11.96623782 Z= 10.93898258 Total= 23.74128444
Reference Point [Bohr] 0.14447415 -0.31084299 0.17260958
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.61679760 Y= -16.13121958 Z= 6.30219426 Total= 20.31379554
Reference Point [Bohr] 0.31308623 -0.31046225 0.17286606
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.96670850 Y= 8.78642389 Z= -23.67324980 Total= 28.38590372
Reference Point [Bohr] 0.31262403 -0.47917790 0.17314202
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.69553668 Y= -14.74658114 Z= 6.51058750 Total= 19.91569690
Reference Point [Bohr] 0.14308345 -0.30975258 0.17342880
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.97889041 Y= 17.44435098 Z= -12.67744662 Total= 27.44641604
Reference Point [Bohr] 0.14260560 -0.30940974 0.17370981
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.70275149 Y= 22.01962210 Z= 1.29467821 Total= 30.94429465
Reference Point [Bohr] 0.14211553 -0.30908579 0.17398697
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.78789754 Y= 24.84119479 Z= 9.93040055 Total= 36.47105260
Reference Point [Bohr] 0.14162671 -0.30877188 0.17427005
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.90668254 Y= -1.40914743 Z= -11.27844050 Total= 29.20887676
Reference Point [Bohr] 0.14114875 -0.30844619 0.34363623
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.95801966 Y= 1.21846641 Z= -6.39176124 Total= 8.18053978
Reference Point [Bohr] 0.14068555 -0.30809421 0.34394313
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.03181962 Y= 26.01162310 Z= -2.44075930 Total= 33.53951817
Reference Point [Bohr] 0.14024807 -0.30772697 0.34425785
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.04770872 Y= 26.29590145 Z= -26.48415344 Total= 38.40241984
Reference Point [Bohr] 0.13984333 -0.30736652 0.34456364
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.34655172 Y= -25.55157286 Z= -22.26703305 Total= 38.53958480
Reference Point [Bohr] 0.13945665 -0.47608435 0.34485703
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.90009488 Y= -6.30304250 Z= 14.95718598 Total= 18.05151673
Reference Point [Bohr] 0.30814352 -0.47571574 0.34514875
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.00804278 Y= 0.98388628 Z= 21.64523353 Total= 22.23880976
Reference Point [Bohr] 0.30776300 -0.47533797 0.34544930
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.72720779 Y= -24.98671040 Z= 24.54449860 Total= 42.30541925
Reference Point [Bohr] 0.47647031 -0.47497115 0.34576389
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.00527058 Y= -26.68316713 Z= 26.32159946 Total= 38.54754084
Reference Point [Bohr] 0.47610414 -0.47461395 0.34609291
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.06541314 Y= -24.05343181 Z= -27.30020031 Total= 43.62353297
Reference Point [Bohr] 0.47573172 -0.47424426 0.34641688
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.31804593 Y= -13.19917032 Z= 2.03818292 Total= 29.51290952
Reference Point [Bohr] 0.30628667 -0.47385101 0.17764578
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.46309679 Y= -19.02540222 Z= 3.49490730 Total= 27.44070778
Reference Point [Bohr] 0.30589918 -0.47344734 0.17793606
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.07349521 Y= -20.40319416 Z= 4.05770595 Total= 26.91207068
Reference Point [Bohr] 0.30548255 -0.47304911 0.17823347
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.71476254 Y= 7.05175514 Z= 2.39769294 Total= 25.81270365
Reference Point [Bohr] 0.30506328 -0.47265251 0.17853698
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.24288465 Y= 7.79681035 Z= -1.97936058 Total= 8.13958734
Reference Point [Bohr] 0.30467082 -0.47223883 0.17883302
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.44874832 Y= -16.93919135 Z= 21.29591092 Total= 35.92068795
Reference Point [Bohr] 0.30430559 -0.30272794 0.17911832
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.71981526 Y= 16.35929302 Z= -9.83148396 Total= 21.89061407
Reference Point [Bohr] 0.30395199 -0.30227905 0.17938955
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.90195108 Y= -1.70766743 Z= -14.85271843 Total= 21.82639276
Reference Point [Bohr] 0.30360387 -0.30182188 0.17965980
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.39845842 Y= 4.67053239 Z= -19.24770327 Total= 20.81413520
Reference Point [Bohr] 0.13419823 -0.30135396 0.17994584
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.10707004 Y= -19.04254071 Z= -21.82390932 Total= 28.98494400
Reference Point [Bohr] 0.13389988 -0.30088726 0.18024796
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.53876816 Y= -0.13268640 Z= 5.57112796 Total= 24.18943320
Reference Point [Bohr] 0.13362896 -0.30043381 0.01146614
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.07881054 Y= 27.47513798 Z= -18.41578819 Total= 39.76805673
Reference Point [Bohr] 0.13335775 -0.29999464 0.01172290
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.28115342 Y= -1.29698723 Z= 15.05365954 Total= 30.31491162
Reference Point [Bohr] -0.03599905 -0.29956192 0.01196207
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.76161486 Y= 0.36359255 Z= -7.59865502 Total= 27.82185809
Reference Point [Bohr] 0.13278378 -0.29912672 0.01221153
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.24579287 Y= 4.78637311 Z= -4.02723864 Total= 6.26006651
Reference Point [Bohr] 0.13248201 -0.29868735 0.01247289
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.84541564 Y= 8.51811001 Z= -1.52116402 Total= 26.30906339
Reference Point [Bohr] 0.13215889 -0.29824351 0.01274111
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.14190714 Y= 10.13414945 Z= 0.53191845 Total= 10.96080823
Reference Point [Bohr] 0.13182269 -0.29778773 -0.15605571
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.64259600 Y= -16.43156458 Z= -23.45388066 Total= 28.86779067
Reference Point [Bohr] 0.13148643 -0.12825491 -0.15577900
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.58822538 Y= -14.86033348 Z= 2.85148890 Total= 27.18801990
Reference Point [Bohr] 0.13114640 -0.12780703 -0.15550755
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.66175058 Y= 13.89851506 Z= 21.60578997 Total= 32.35063086
Reference Point [Bohr] 0.13081393 0.04172164 -0.15525249
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.59980823 Y= 16.19441680 Z= 24.73711759 Total= 32.97481649
Reference Point [Bohr] 0.29959571 0.04220457 -0.15502205
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.25894200 Y= 16.32769544 Z= -12.96787697 Total= 24.70949240
Reference Point [Bohr] 0.29935329 0.04270073 -0.15480523
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.31931307 Y= 10.39026265 Z= -18.02373754 Total= 24.70256614
Reference Point [Bohr] 0.29914517 0.04319061 -0.15458656
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.49782187 Y= 13.30967662 Z= 5.73648255 Total= 17.32810850
Reference Point [Bohr] 0.29896514 0.04368038 -0.15435797
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.16797296 Y= 11.24284097 Z= 0.98138021 Total= 18.90587168
Reference Point [Bohr] 0.29881283 0.04418266 -0.15412344
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.97437159 Y= 8.92496963 Z= 23.32311117 Total= 25.05036408
Reference Point [Bohr] 0.29868915 0.04469618 -0.15389013
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.30256368 Y= 6.42250805 Z= -9.16030735 Total= 11.26305964
Reference Point [Bohr] 0.29858623 0.04522469 -0.15365838
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.09841402 Y= -23.19703646 Z= -14.69242476 Total= 27.48047232
Reference Point [Bohr] 0.46757485 -0.12328582 -0.15342549
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.20676601 Y= -27.48770071 Z= 10.53325821 Total= 39.41215299
Reference Point [Bohr] 0.46752116 -0.12266924 -0.15319916
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.76577564 Y= -6.05540727 Z= 12.14356587 Total= 14.38216836
Reference Point [Bohr] 0.46750698 0.04706203 -0.15298328
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.01412539 Y= -6.53557706 Z= 5.50089330 Total= 11.05312397
Reference Point [Bohr] 0.46752612 0.04773703 -0.15277801
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.45321128 Y= -25.78276265 Z= -22.06288254 Total= 34.22503070
Reference Point [Bohr] 0.46757193 0.04843300 -0.15259145
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.91507478 Y= -25.17568552 Z= -25.15762755 Total= 44.02627018
Reference Point [Bohr] 0.46763620 0.04914907 -0.15241781
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.56088366 Y= -26.47909782 Z= -23.02663372 Total= 35.18418121
Reference Point [Bohr] 0.46769665 0.04986650 -0.15223743
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.73912113 Y= -0.38661173 Z= -21.91097345 Total= 28.83391904
Reference Point [Bohr] 0.46773364 -0.28758436 0.18610030
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.64011191 Y= -1.18836060 Z= -18.98361386 Total= 25.27218076
Reference Point [Bohr] 0.46774736 -0.28692120 0.18630074
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.93573346 Y= -1.64552677 Z= -10.48666747 Total= 11.70638364
Reference Point [Bohr] 0.29867727 -0.28626533 0.18651613
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.05240287 Y= 25.66186882 Z= -13.74987733 Total= 29.18566421
Reference Point [Bohr] 0.29867529 -0.28558625 0.18672633
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.05700731 Y= 26.26770817 Z= -6.40843606 Total= 38.25104168
Reference Point [Bohr] 0.29867243 -0.28489072 0.18691548
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.40088505 Y= -27.13209398 Z= 20.49019563 Total= 43.04654890
Reference Point [Bohr] 0.29866938 -0.28419472 0.18711075
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.22622851 Y= -25.22901459 Z= 18.26997747 Total= 31.22901451
Reference Point [Bohr] 0.29864801 -0.28350378 0.18732635
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.54793709 Y= -22.78925642 Z= 13.97760955 Total= 26.85546053
Reference Point [Bohr] 0.12951319 -0.28281835 0.18753488
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.18712193 Y= -22.72612827 Z= -24.01515517 Total= 41.56435606
Reference Point [Bohr] 0.12941129 -0.28212529 0.18771441
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.12942627 Y= 23.93797797 Z= -0.88117839 Total= 26.85006976
Reference Point [Bohr] 0.12929314 -0.28140080 0.18786783
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.54162548 Y= 23.50193527 Z= -27.18804631 Total= 38.40451073
Reference Point [Bohr] 0.12918553 -0.28063579 0.18800091
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.79457914 Y= -21.91626558 Z= -22.57223790 Total= 33.96365522
Reference Point [Bohr] 0.12909148 -0.27983497 0.18810152
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.94243287 Y= 11.22208627 Z= 13.78098541 Total= 19.89517240
Reference Point [Bohr] 0.12902012 -0.27899861 0.18814567
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.52681821 Y= -14.20241334 Z= 18.07741912 Total= 29.52532167
Reference Point [Bohr] 0.12899257 -0.27813575 0.18814518
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.67479292 Y= 13.73803714 Z= -9.39331268 Total= 20.32901319
Reference Point [Bohr] 0.12900010 -0.27727309 0.18814153
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.98166709 Y= -15.08348003 Z= 23.08756328 Total= 29.68406913
Reference Point [Bohr] 0.12902294 -0.10735948 0.18816608
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.15117380 Y= -17.24879902 Z= 0.02135460 Total= 20.01419130
Reference Point [Bohr] 0.29812789 -0.10654768 0.18823380
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.94104617 Y= 8.57997537 Z= -23.26454420 Total= 28.94978160
Reference Point [Bohr] 0.29815861 0.06330668 0.18834806
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.42980922 Y= -19.65834330 Z= -18.85294257 Total= 29.53852474
Reference Point [Bohr] 0.29817314 0.06405783 0.18850856
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.17942373 Y= 11.45510281 Z= -15.87269013 Total= 27.40459755
Reference Point [Bohr] 0.29814899 0.06479225 0.18870195
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.22616132 Y= -2.96337599 Z= 11.08888896 Total= 16.76973692
Reference Point [Bohr] 0.29809579 -0.10354807 0.18890125
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.73982229 Y= -12.19207448 Z= -22.08579211 Total= 26.38813639
Reference Point [Bohr] 0.29803766 -0.10280426 0.18910272
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.33957735 Y= -20.76502571 Z= 9.66911037 Total= 23.02502139
Reference Point [Bohr] 0.29796689 -0.10204966 0.18933681
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.70981480 Y= -22.06848187 Z= 9.16209932 Total= 23.95590580
Reference Point [Bohr] 0.29786711 -0.10129771 0.18960438
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.42388413 Y= -23.43932018 Z= 10.07252163 Total= 25.55161186
Reference Point [Bohr] 0.29773289 -0.26962786 0.18989594
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.59917485 Y= 3.14708165 Z= 15.20859752 Total= 15.94238442
Reference Point [Bohr] 0.29757523 -0.26888066 -0.14792974
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.61491624 Y= 2.72899123 Z= 3.70991739 Total= 8.89931624
Reference Point [Bohr] 0.29741087 -0.26810816 -0.14757875
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.64575069 Y= -24.42445317 Z= -24.61579159 Total= 38.46520667
Reference Point [Bohr] 0.29724419 -0.26730391 -0.14721494
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.86804876 Y= -23.19345357 Z= 1.18502280 Total= 27.04927622
Reference Point [Bohr] 0.29707497 -0.26648240 -0.14686500
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.20600175 Y= 6.30770756 Z= -0.35118477 Total= 12.00304033
Reference Point [Bohr] 0.29691894 -0.26565695 -0.14654507
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.38621317 Y= 12.94626909 Z= -1.34274549 Total= 25.03555397
Reference Point [Bohr] 0.29679187 -0.26483720 -0.14626252
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.78172216 Y= -7.15938752 Z= -25.96825743 Total= 27.20126185
Reference Point [Bohr] 0.29668997 -0.26403236 -0.14601119
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.09099546 Y= 20.56202212 Z= -16.58031064 Total= 29.48012240
Reference Point [Bohr] 0.29661119 -0.26322436 -0.14577334
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.42735206 Y= 24.62246373 Z= 7.31588480 Total= 29.46075997
Reference Point [Bohr] 0.12749706 -0.26238319 -0.14553137
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.45312863 Y= 27.14688234 Z= 15.14591393 Total= 34.28184442
Reference Point [Bohr] 0.12751272 -0.26150745 -0.14527762
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.67171730 Y= 4.49084556 Z= 8.75090907 Total= 10.19235875
Reference Point [Bohr] 0.12758885 -0.26062078 -0.14500690
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.87620987 Y= 25.63117856 Z= 13.73367125 Total= 36.38872901
Reference Point [Bohr] 0.12772061 -0.25973843 -0.14470386
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.26635079 Y= 18.37743483 Z= 9.21306604 Total= 29.57817393
Reference Point [Bohr] 0.12790049 -0.25887029 -0.14435991
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.32783253 Y= -19.61106627 Z= -24.65748728 Total= 40.42381353
Reference Point [Bohr] 0.12811884 -0.42709737 -0.14398398
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.45785624 Y= -1.45125299 Z= 25.13014135 Total= 34.40786478
Reference Point [Bohr] 0.12835730 -0.42626567 -0.14358946
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.30159520 Y= -9.32979541 Z= 19.35283817 Total= 28.88129161
Reference Point [Bohr] 0.12859576 -0.25636109 -0.14318339
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.35168163 Y= 13.60944228 Z= -9.85064292 Total= 26.39020709
Reference Point [Bohr] 0.12883451 -0.25552433 -0.14276615
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.91712130 Y= -16.90262986 Z= 19.90296810 Total= 36.09279664
Reference Point [Bohr] 0.12907537 -0.25468216 -0.14232684
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.76841969 Y= -19.13808063 Z= -1.42275028 Total= 26.84294928
Reference Point [Bohr] -0.03975713 -0.42291416 -0.14185214
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.91817579 Y= 6.82316572 Z= 2.83050029 Total= 10.82888869
Reference Point [Bohr] -0.20859291 -0.42208174 -0.14133955
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.32437832 Y= 5.88186544 Z= -22.19932728 Total= 32.02786818
Reference Point [Bohr] -0.20837266 -0.42126415 -0.14078935
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.97912159 Y= 5.83396434 Z= 8.48691427 Total= 24.27230190
Reference Point [Bohr] -0.20818215 -0.42045465 0.02887308
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.32935234 Y= 7.82978121 Z= 12.27105389 Total= 25.82296475
Reference Point [Bohr] -0.03895289 -0.41964033 0.02948058
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.00511288 Y= 16.10878027 Z= -11.51767174 Total= 20.69325844
Reference Point [Bohr] -0.03882528 -0.41883432 0.03005868
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.07901426 Y= 11.22850197 Z= 19.06486605 Total= 23.55459287
Reference Point [Bohr] -0.03870241 -0.24899090 0.03055982
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.76591797 Y= -0.12449278 Z= -6.31793908 Total= 17.91725029
Reference Point [Bohr] -0.03856591 -0.24825702 0.03097929
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.15458860 Y= 1.15378635 Z= 22.01790324 Total= 32.70418072
Reference Point [Bohr] -0.03842689 -0.24754163 0.03135047
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.66158483 Y= 27.21893374 Z= -6.30810664 Total= 36.61329212
Reference Point [Bohr] 0.13076727 -0.41590657 0.03169250
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.35791294 Y= 24.43630592 Z= -12.05710478 Total= 34.01398892
Reference Point [Bohr] 0.13087050 -0.41519440 0.03200691
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.62723418 Y= 22.02638511 Z= 1.19068504 Total= 30.20036692
Reference Point [Bohr] 0.13097517 -0.41447214 0.03229788
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.18078095 Y= -6.71762665 Z= -21.39040560 Total= 28.24633062
Reference Point [Bohr] 0.13109924 -0.41375608 0.03256926
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.43499197 Y= -7.36923586 Z= -24.76914032 Total= 27.18391140
Reference Point [Bohr] 0.13125028 -0.41307504 0.03282968
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.31334615 Y= -2.82970797 Z= -26.90041908 Total= 35.70926915
Reference Point [Bohr] 0.46956451 -0.24334774 0.03308887
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.47043722 Y= 24.69760760 Z= -2.25592702 Total= 25.04206386
Reference Point [Bohr] 0.30064587 -0.24271286 0.03334466
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.65167765 Y= -26.74261546 Z= -6.11659875 Total= 28.00931491
Reference Point [Bohr] 0.30077030 -0.24212627 0.20267601
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.59366420 Y= -18.97368304 Z= 16.21921399 Total= 30.53850964
Reference Point [Bohr] 0.30087106 -0.24159535 0.20294578
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.70706797 Y= -3.64119756 Z= 11.90364007 Total= 17.78832603
Reference Point [Bohr] 0.30097685 -0.24109048 0.20321937
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.70263616 Y= -25.71038019 Z= -18.23587753 Total= 32.70025620
Reference Point [Bohr] 0.30111672 -0.24059302 0.03441874
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.78376058 Y= 5.88705991 Z= 7.59050769 Total= 22.89624391
Reference Point [Bohr] 0.30128868 -0.24009458 0.03470377
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.15347693 Y= -18.17104626 Z= 5.90825502 Total= 20.40261335
Reference Point [Bohr] 0.30146926 -0.23958632 0.03500610
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.78931651 Y= 12.75999694 Z= 3.33350285 Total= 15.84871755
Reference Point [Bohr] 0.30164049 -0.23907676 0.03530396
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.66908007 Y= 26.21927512 Z= -22.34211290 Total= 36.37015021
Reference Point [Bohr] 0.30179821 -0.23858428 0.03557570
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.27599052 Y= -17.03780978 Z= -24.20914322 Total= 30.26148765
Reference Point [Bohr] 0.47101610 -0.06904519 0.03581194
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.04759586 Y= 17.99162257 Z= 27.21146677 Total= 35.92481799
Reference Point [Bohr] 0.47115009 -0.06859952 0.03599558
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.83676526 Y= -11.05412448 Z= -9.60362443 Total= 14.66708718
Reference Point [Bohr] 0.30221191 -0.23723534 0.03611773
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.48817650 Y= 15.88681463 Z= 6.13512572 Total= 17.09518400
Reference Point [Bohr] 0.30235948 -0.23680895 0.03620624
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.77708836 Y= 18.88195975 Z= 16.90735142 Total= 36.87003386
Reference Point [Bohr] 0.30251505 -0.23638471 0.03629883
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.82281580 Y= -1.08128630 Z= -20.18342305 Total= 30.48640135
Reference Point [Bohr] 0.30267816 -0.23593953 0.03640078
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.26209557 Y= -3.79892442 Z= -2.42256097 Total= 12.12993921
Reference Point [Bohr] 0.30284813 -0.23546575 0.03649241
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.54685611 Y= -5.41472283 Z= -16.61028807 Total= 24.76111977
Reference Point [Bohr] 0.30300912 -0.23497564 0.03655663
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.60471971 Y= 9.96393402 Z= -18.97207301 Total= 26.50899494
Reference Point [Bohr] 0.30315420 -0.23448635 0.03658993
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.71151616 Y= 24.03886576 Z= 7.84587248 Total= 26.16236287
Reference Point [Bohr] 0.30328875 -0.23399443 0.03660573
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.00025309 Y= -14.90588029 Z= -20.92937419 Total= 35.85019701
Reference Point [Bohr] 0.30341186 -0.23347633 0.03660871
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.44013998 Y= 2.81312136 Z= 4.56153303 Total= 5.88859223
Reference Point [Bohr] 0.30351927 -0.23292075 0.03659288
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.54666413 Y= 22.20698036 Z= -24.13583001 Total= 33.89297471
Reference Point [Bohr] 0.30362560 -0.40142114 0.03656485
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.96768671 Y= -1.46923330 Z= 3.49738182 Total= 17.38656719
Reference Point [Bohr] 0.30373245 -0.40085888 0.03653862
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.87285852 Y= -15.59930134 Z= 4.01278122 Total= 25.58067867
Reference Point [Bohr] 0.13476604 -0.40032642 0.20560129
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.75404816 Y= 19.80264352 Z= -18.41124760 Total= 35.33929026
Reference Point [Bohr] 0.13488370 -0.39982508 0.20560480
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.68796481 Y= 19.75895671 Z= -10.38869637 Total= 34.03252736
Reference Point [Bohr] 0.13501302 -0.39935606 0.20561126
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.14551724 Y= 23.31311589 Z= 21.64338957 Total= 38.19778245
Reference Point [Bohr] 0.13513900 -0.39892177 0.20560798
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.21097593 Y= 1.77093003 Z= 18.66939276 Total= 21.35290258
Reference Point [Bohr] 0.13524705 -0.39851507 0.20559360
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.05628823 Y= -18.65003849 Z= 9.56562152 Total= 25.23696276
Reference Point [Bohr] 0.13534448 -0.39813698 0.20558064
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.21170511 Y= 13.49979673 Z= -22.32634308 Total= 28.80687155
Reference Point [Bohr] 0.13545610 -0.39779376 0.20557001
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.46646054 Y= -14.05266496 Z= -26.21764767 Total= 36.10704154
Reference Point [Bohr] 0.13559861 -0.39749440 0.37461841
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.52467939 Y= -16.91093293 Z= -1.50184459 Total= 17.33950849
Reference Point [Bohr] 0.13578253 -0.39725435 0.20548279
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.89831847 Y= 8.81091869 Z= 21.81353627 Total= 23.70364746
Reference Point [Bohr] 0.13600352 -0.39706893 0.20537381
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.37691593 Y= 7.90166941 Z= -10.63880065 Total= 16.23413105
Reference Point [Bohr] 0.13623957 -0.39690513 0.20523147
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.21246928 Y= -20.80611581 Z= 18.52944944 Total= 29.34458283
Reference Point [Bohr] 0.30554856 -0.22767168 0.20508633
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.21563446 Y= -23.78042545 Z= 21.06992760 Total= 32.37413466
Reference Point [Bohr] 0.30576890 -0.22752206 0.20495419
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.24125623 Y= 24.60374088 Z= 20.86318699 Total= 32.68160650
Reference Point [Bohr] 0.30597346 -0.22738598 0.03575665
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.75464771 Y= -9.16164517 Z= -5.49264400 Total= 11.69237167
Reference Point [Bohr] 0.30617986 -0.39633431 0.03562843
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.05311841 Y= 17.30827744 Z= -1.32378768 Total= 17.62527769
Reference Point [Bohr] 0.30639916 -0.39621610 0.03548206
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.25303254 Y= 20.01388634 Z= 5.65302450 Total= 20.83464478
Reference Point [Bohr] 0.30663042 -0.22702158 0.03529666
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.24613601 Y= -2.12251322 Z= -4.21817847 Total= 25.68395366
Reference Point [Bohr] 0.30686778 -0.22689567 0.03506963
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.97489433 Y= 24.09067427 Z= -15.43743018 Total= 30.64511614
Reference Point [Bohr] 0.30711762 -0.22677378 -0.13424429
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.94609114 Y= 24.11878713 Z= -3.90599003 Total= 32.84210053
Reference Point [Bohr] 0.30738254 -0.22665524 -0.13447521
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.42642513 Y= 20.78808618 Z= -6.50867809 Total= 23.73530932
Reference Point [Bohr] 0.13857331 -0.22652653 -0.13469539
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.15963230 Y= -12.99973255 Z= -7.81093038 Total= 19.43863004
Reference Point [Bohr] 0.13882625 -0.39545466 -0.13491593
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.64507852 Y= -23.66872013 Z= 2.44207398 Total= 26.06702389
Reference Point [Bohr] 0.13906559 -0.39530295 -0.13514959
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.10593491 Y= -26.63944911 Z= 8.71512286 Total= 29.17738501
Reference Point [Bohr] 0.13929980 -0.39515522 -0.13539861
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.30428802 Y= -0.55564710 Z= -13.87423056 Total= 24.59811231
Reference Point [Bohr] 0.13953784 -0.39501935 -0.13565367
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.50386952 Y= -27.23662002 Z= -10.24860764 Total= 35.59882153
Reference Point [Bohr] 0.13978879 -0.39489633 -0.13589812
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.18453779 Y= 1.41339313 Z= -8.30165931 Total= 20.03977650
Reference Point [Bohr] 0.14006837 -0.22571491 -0.13611127
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.49938357 Y= 6.22336241 Z= 16.71966894 Total= 24.30035447
Reference Point [Bohr] 0.14036733 -0.22562821 -0.13628692
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.16053683 Y= -1.97761846 Z= 12.72046508 Total= 25.62831636
Reference Point [Bohr] 0.14065320 -0.22554922 0.03261474
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.24001618 Y= 4.01144169 Z= 13.68293532 Total= 28.98918419
Reference Point [Bohr] -0.02815945 -0.22546575 0.03241289
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.78706359 Y= -18.97357201 Z= -15.62176627 Total= 33.51546335
Reference Point [Bohr] -0.02791782 -0.22539503 0.03217574
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.87555144 Y= -19.33044970 Z= 11.23729305 Total= 24.44319040
Reference Point [Bohr] 0.14138441 -0.22534711 0.03192398
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.64527991 Y= 7.50803545 Z= -16.69868887 Total= 24.74433571
Reference Point [Bohr] 0.14160837 -0.22530205 0.03167511
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.08513438 Y= 5.81620918 Z= 10.55883033 Total= 24.28785867
Reference Point [Bohr] 0.14183051 -0.22523095 0.03143359
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.93971216 Y= 2.55097250 Z= -16.85261360 Total= 17.74595171
Reference Point [Bohr] 0.14203680 -0.22512963 0.03121260
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.43488185 Y= 24.17711581 Z= 13.42613887 Total= 27.86741012
Reference Point [Bohr] -0.02687589 -0.22502523 0.03101440
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.11251861 Y= 15.98579544 Z= 16.47544313 Total= 35.52568856
Reference Point [Bohr] -0.02678054 -0.22494257 0.03082633
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.28464307 Y= 4.19601151 Z= -4.68672629 Total= 8.89205569
Reference Point [Bohr] -0.02673724 -0.22487709 0.03064931
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.82157484 Y= 14.43800374 Z= -22.52158614 Total= 29.24769095
Reference Point [Bohr] 0.14235272 -0.22481757 0.03048973
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.07484003 Y= 0.86053406 Z= -11.02272950 Total= 19.51003759
Reference Point [Bohr] 0.14236669 -0.22477227 0.03034944
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.49686256 Y= 1.41902026 Z= -13.12185912 Total= 22.72291200
Reference Point [Bohr] 0.14240973 -0.22474719 0.03024212
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.37780725 Y= -26.46672679 Z= 22.49151701 Total= 40.78439171
Reference Point [Bohr] 0.14248917 -0.22474591 0.03017355
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.99126537 Y= -1.27360989 Z= 1.39190154 Total= 24.06533371
Reference Point [Bohr] 0.14258947 -0.22476577 0.03012711
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.26209132 Y= 23.89076673 Z= -12.45159102 Total= 36.93215553
Reference Point [Bohr] 0.14271922 -0.22479064 0.03008827
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.10534925 Y= -6.32360601 Z= -20.35872085 Total= 28.62655895
Reference Point [Bohr] -0.02619082 -0.22481780 0.03007451
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.78080371 Y= -10.13434466 Z= -16.27293457 Total= 21.08591603
Reference Point [Bohr] -0.02603014 -0.22485679 0.03010018
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.93776570 Y= 9.81034478 Z= -16.25996101 Total= 27.53440934
Reference Point [Bohr] -0.02590005 -0.22491056 0.03014864
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.58151644 Y= 19.50594945 Z= 8.39497984 Total= 28.21755666
Reference Point [Bohr] -0.02578916 -0.22497546 0.03020780
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.55020898 Y= -10.24934296 Z= -21.75499252 Total= 28.10760239
Reference Point [Bohr] -0.02567822 -0.05596475 0.03027491
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.50749833 Y= -6.78479847 Z= 3.28771467 Total= 9.95942230
Reference Point [Bohr] 0.14350310 -0.05601104 0.03033736
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.08470172 Y= -6.26245491 Z= 25.40391773 Total= 27.38502838
Reference Point [Bohr] 0.14359585 -0.05604731 0.03038067
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.63190287 Y= -10.26661608 Z= 16.03866840 Total= 19.22418275
Reference Point [Bohr] 0.14367428 -0.22513745 0.03041012
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.64804214 Y= -7.91095783 Z= -9.57974930 Total= 19.98039222
Reference Point [Bohr] 0.14375165 -0.22510691 0.03044633
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.32023992 Y= -7.32428076 Z= -19.86269353 Total= 21.17248773
Reference Point [Bohr] 0.14384510 -0.22503601 0.03050467
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.67189954 Y= 20.65544200 Z= 14.10853736 Total= 25.02298063
Reference Point [Bohr] 0.31303627 -0.22496550 -0.13847713
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.71450847 Y= -3.82859979 Z= -14.20486622 Total= 30.49756323
Reference Point [Bohr] 0.31317878 -0.22492952 -0.13834475
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.53103842 Y= 1.66315818 Z= 13.80688508 Total= 13.91683055
Reference Point [Bohr] 0.14426149 -0.22492872 -0.13818498
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.27450464 Y= 7.62426312 Z= 15.86658248 Total= 17.90531230
Reference Point [Bohr] 0.14439720 -0.22494401 -0.13803461
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.06534863 Y= 15.33065280 Z= -16.65026854 Total= 22.83980560
Reference Point [Bohr] 0.14448438 -0.22496715 0.03114870
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.65242385 Y= -10.16111302 Z= 4.77263075 Total= 14.80525273
Reference Point [Bohr] 0.14453126 -0.22498963 0.03120841
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.23931734 Y= -10.96171933 Z= -24.60803988 Total= 34.30486144
Reference Point [Bohr] 0.14456597 -0.05592306 0.03122867
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.75740620 Y= -20.81932811 Z= 2.84067422 Total= 28.16654292
Reference Point [Bohr] -0.02447601 -0.05590858 0.03123404
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.29791693 Y= -18.30586040 Z= 4.06007293 Total= 18.75306566
Reference Point [Bohr] -0.02446983 -0.05587237 0.03124712
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.71281580 Y= -19.76039558 Z= 12.46549813 Total= 31.89526998
Reference Point [Bohr] -0.02450391 -0.05582133 0.03128270
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.88237259 Y= 11.81285031 Z= 20.76329310 Total= 35.96275474
Reference Point [Bohr] -0.02455568 -0.05576154 0.03133643
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.18585090 Y= 4.45279710 Z= 25.02940052 Total= 25.42307678
Reference Point [Bohr] -0.02459609 -0.05569121 0.03139586
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.18585451 Y= -27.20373550 Z= 26.60768197 Total= 45.63265533
Reference Point [Bohr] -0.02460959 -0.05561858 0.03145471
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.25427366 Y= 4.71169757 Z= -20.45685007 Total= 33.61502185
Reference Point [Bohr] -0.02458244 -0.05555688 0.03151018
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.74535686 Y= 9.49679296 Z= 1.25943043 Total= 11.71644489
Reference Point [Bohr] 0.14455982 -0.05549835 0.03157162
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.46696263 Y= 9.18836822 Z= 6.88007740 Total= 11.99088844
Reference Point [Bohr] 0.14464467 -0.05542999 0.03165242
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.41005123 Y= 10.33570890 Z= -25.08452751 Total= 38.56645313
Reference Point [Bohr] 0.31378904 -0.05535460 0.03175229
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.63815740 Y= 10.79323890 Z= 26.65629219 Total= 29.30598468
Reference Point [Bohr] 0.31383178 -0.22435257 0.03186657
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.30723585 Y= -6.90626732 Z= 5.46628850 Total= 9.40822232
Reference Point [Bohr] 0.31384528 -0.22428454 -0.13707900
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.31265784 Y= 0.29112844 Z= -8.95880957 Total= 8.96898989
Reference Point [Bohr] 0.14477182 -0.39329709 -0.13694519
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.22995864 Y= -20.72618399 Z= -16.06603743 Total= 26.56284646
Reference Point [Bohr] 0.31385066 -0.39322214 -0.13681653
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.02509330 Y= -14.96372995 Z= -21.22155072 Total= 29.51221223
Reference Point [Bohr] 0.31386659 -0.39312351 -0.13670404
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.25278971 Y= -19.22047125 Z= 20.63919801 Total= 28.88772038
Reference Point [Bohr] 0.31388595 -0.39301349 -0.13661312
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.85644606 Y= 12.07702995 Z= -20.50477854 Total= 23.81247773
Reference Point [Bohr] 0.14481792 -0.39290862 -0.13651574
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.75759871 Y= 17.64111782 Z= 1.15603682 Total= 18.92645237
Reference Point [Bohr] 0.14482163 -0.39281979 -0.13638456
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.40953787 Y= -21.09731589 Z= -14.14373360 Total= 31.36961942
Reference Point [Bohr] 0.14484543 -0.22367601 -0.13622830
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.23493767 Y= 22.34734809 Z= 18.68289289 Total= 30.87407331
Reference Point [Bohr] 0.14490359 -0.22363009 -0.13607090
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.64570203 Y= -19.46471141 Z= -4.86640497 Total= 22.26199576
Reference Point [Bohr] 0.14498896 -0.22359983 -0.13592109
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.19528099 Y= -27.13842854 Z= -0.99386848 Total= 35.07296076
Reference Point [Bohr] 0.14509181 -0.22355643 0.03329827
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.29164133 Y= 6.74304930 Z= 23.40119480 Total= 24.57477435
Reference Point [Bohr] 0.14522466 -0.22348691 0.03344892
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.61207451 Y= 14.42492710 Z= -18.59554450 Total= 27.18752231
Reference Point [Bohr] 0.14541511 -0.22341108 0.03360977
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.68202255 Y= -21.50100351 Z= 4.27300027 Total= 25.84084798
Reference Point [Bohr] 0.14567510 -0.22334437 0.03377346
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.99160913 Y= -1.07686796 Z= -24.98562560 Total= 27.73517299
Reference Point [Bohr] 0.14599277 -0.22327023 0.03394207
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.67304317 Y= 17.13524117 Z= 3.65142794 Total= 25.60531111
Reference Point [Bohr] 0.14634819 -0.22317542 0.03412383
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.24293333 Y= -25.89628570 Z= -20.12881485 Total= 40.19976057
Reference Point [Bohr] 0.31579662 -0.22306681 0.03432462
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.28392267 Y= 21.40366806 Z= 10.31721080 Total= 36.17974960
Reference Point [Bohr] 0.31618300 -0.22296483 0.03453437
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.57534535 Y= 20.83430205 Z= 8.68486183 Total= 33.36828683
Reference Point [Bohr] 0.31655777 -0.39196350 0.03473719
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.02403280 Y= 23.72424391 Z= -23.20779654 Total= 40.97066904
Reference Point [Bohr] 0.31689108 -0.39192839 0.03493851
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.58114761 Y= 1.15884449 Z= 27.44091694 Total= 36.85891563
Reference Point [Bohr] 0.31718266 -0.39193955 0.03515259
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.64192495 Y= 7.47231347 Z= 23.42973125 Total= 24.86063942
Reference Point [Bohr] 0.14837053 -0.39198842 0.03538096
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.78324196 Y= -10.78883767 Z= -6.79752584 Total= 19.52305352
Reference Point [Bohr] 0.14861664 -0.39206288 0.03562077
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.77784704 Y= 9.05745314 Z= 19.17206861 Total= 21.73553529
Reference Point [Bohr] 0.14887015 -0.39215713 0.03587092
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.09807518 Y= 8.31418249 Z= -11.82468013 Total= 29.83384352
Reference Point [Bohr] 0.14915688 -0.39225593 -0.13294942
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.18098658 Y= -24.09007935 Z= -17.97635118 Total= 30.05850763
Reference Point [Bohr] 0.14948664 -0.39233125 0.03638302
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.73287595 Y= 3.31927310 Z= 11.66059749 Total= 12.24703910
Reference Point [Bohr] 0.14985736 -0.39237632 0.03666247
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.15158902 Y= 21.89357850 Z= 15.85213604 Total= 27.11546296
Reference Point [Bohr] 0.15025663 -0.39240830 0.03696109
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.66128256 Y= 26.00028978 Z= -8.74647621 Total= 36.88759645
Reference Point [Bohr] 0.15066448 -0.22334880 0.03727626
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.07289682 Y= 26.38894334 Z= 12.40545425 Total= 30.85020058
Reference Point [Bohr] 0.15105387 -0.22334160 0.20667209
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.00937321 Y= 26.00556350 Z= 4.63812588 Total= 29.01769442
Reference Point [Bohr] 0.15140130 -0.22333000 0.20697956
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.31681008 Y= 24.69408380 Z= -21.03263903 Total= 34.69688012
Reference Point [Bohr] 0.15172331 -0.39239081 0.20725785
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.73343758 Y= 25.47342785 Z= -13.82228670 Total= 31.65582993
Reference Point [Bohr] 0.15205842 -0.39235823 0.20751984
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.36256404 Y= -21.43598047 Z= 6.91615123 Total= 26.71362297
Reference Point [Bohr] 0.15244166 -0.39230356 0.20779335
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.90320710 Y= -11.34232070 Z= 7.12130972 Total= 13.70364559
Reference Point [Bohr] 0.15288393 -0.22317683 0.20809036
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.39063986 Y= -7.54115834 Z= -5.07450404 Total= 9.70134522
Reference Point [Bohr] -0.01569537 -0.39221313 0.20840815
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.98021202 Y= 20.36714534 Z= -8.98572435 Total= 22.45986454
Reference Point [Bohr] -0.01517175 -0.39218685 0.20874064
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.43604249 Y= 19.98640724 Z= 15.65455120 Total= 33.88063534
Reference Point [Bohr] 0.15442455 -0.56123911 0.20908730
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.84625072 Y= -6.86238050 Z= 9.64989960 Total= 22.25744807
Reference Point [Bohr] -0.01413460 -0.56121871 0.20944375
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.93897241 Y= -5.86032312 Z= -16.94904217 Total= 22.71361639
Reference Point [Bohr] -0.01361897 -0.56119243 0.20979925
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.52294908 Y= 23.09793415 Z= 26.64730597 Total= 41.31380901
Reference Point [Bohr] 0.15596321 -0.56115826 0.21015626
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.66234086 Y= 5.36975126 Z= -5.61552489 Total= 7.94554753
Reference Point [Bohr] 0.15644191 -0.56111845 0.21052153
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.76180813 Y= 12.82542672 Z= 18.38369955 Total= 30.55330844
Reference Point [Bohr] 0.32597436 -0.56107353 0.21090102
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.32572497 Y= -11.74196557 Z= -9.63544303 Total= 18.36671212
Reference Point [Bohr] 0.15737813 -0.56102843 0.21130063
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.18319847 Y= 9.58097824 Z= 22.41903790 Total= 25.41666274
Reference Point [Bohr] 0.15789373 -0.56099424 0.21171315
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.33338173 Y= -6.58794783 Z= 2.69061333 Total= 10.21855882
Reference Point [Bohr] 0.15844616 -0.56098108 0.21210880
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.01987225 Y= -0.47011778 Z= -16.33670730 Total= 16.34348222
Reference Point [Bohr] 0.32809661 -0.56098478 0.21246375
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.19289909 Y= 4.54044230 Z= -15.85464370 Total= 25.30519153
Reference Point [Bohr] 0.32868498 -0.56098052 0.21277918
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.07710320 Y= 8.71592662 Z= -22.43437643 Total= 26.92814595
Reference Point [Bohr] 0.32927103 -0.56094866 0.04399443
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.50050125 Y= -15.38532319 Z= 8.60682622 Total= 31.82863795
Reference Point [Bohr] 0.32984383 -0.56088894 0.04427698
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.62178196 Y= -12.37924497 Z= 1.03423639 Total= 19.95884322
Reference Point [Bohr] 0.33040708 -0.39173629 0.04456551
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.54758933 Y= -7.14608035 Z= -26.59686542 Total= 31.14630107
Reference Point [Bohr] 0.33097012 -0.39165027 0.04484997
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.18987952 Y= 3.43770971 Z= -23.28112857 Total= 31.66764579
Reference Point [Bohr] 0.33153335 -0.22249696 0.04512305
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.64878801 Y= -13.07011485 Z= -19.82110684 Total= 23.75131795
Reference Point [Bohr] 0.33208797 -0.05334867 0.21446725
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.99330826 Y= -6.28468527 Z= 11.71837323 Total= 13.44584761
Reference Point [Bohr] 0.16355017 -0.05326339 0.04567019
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.97670797 Y= -2.41036563 Z= -13.32164484 Total= 27.53468011
Reference Point [Bohr] 0.33313121 -0.05318162 -0.12311347
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.88018789 Y= 0.01472422 Z= 14.91750111 Total= 16.03460838
Reference Point [Bohr] 0.33360861 -0.05314398 -0.12279970
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.93091195 Y= -26.12490002 Z= -12.09727004 Total= 30.45451289
Reference Point [Bohr] 0.33406328 -0.05316777 -0.12246860
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.07273911 Y= 2.34463203 Z= -11.89629622 Total= 20.13335803
Reference Point [Bohr] 0.33450034 -0.05323707 -0.12214249
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.78602627 Y= -23.64813386 Z= 1.58839336 Total= 34.29437748
Reference Point [Bohr] 0.16585217 -0.05332368 0.04722695
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.90560208 Y= -20.94076307 Z= 1.19974754 Total= 30.32837541
Reference Point [Bohr] 0.16627592 -0.05341473 0.04748188
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.99982479 Y= -17.02613072 Z= 25.09705186 Total= 32.99616014
Reference Point [Bohr] 0.16670677 -0.05352071 0.04770691
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.52688316 Y= 12.99546333 Z= 22.16146567 Total= 34.83571240
Reference Point [Bohr] 0.16715658 -0.05365066 0.04791811
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.76673922 Y= -14.96348087 Z= -8.52510227 Total= 30.99206316
Reference Point [Bohr] 0.16763303 -0.05379196 0.04813298
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.80645799 Y= -16.61627345 Z= -12.61711046 Total= 26.17510523
Reference Point [Bohr] 0.16813161 -0.05392066 0.04835206
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.09857789 Y= -14.12290187 Z= -14.50741008 Total= 31.47479564
Reference Point [Bohr] -0.00043222 -0.05402448 0.04856309
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.35583674 Y= 22.92792202 Z= -24.82668608 Total= 34.21606256
Reference Point [Bohr] 0.00007941 -0.05410312 0.04877457
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.40941287 Y= -22.22774876 Z= 0.98922077 Total= 22.29434496
Reference Point [Bohr] 0.00060661 -0.05415995 0.04902228
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.84154874 Y= 11.76696788 Z= -1.15184933 Total= 16.73351626
Reference Point [Bohr] 0.17023822 -0.05419934 -0.11973815
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.98519949 Y= -10.74238708 Z= 24.87814038 Total= 28.87949026
Reference Point [Bohr] 0.17082946 -0.05422999 -0.11935717
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.96782228 Y= 20.55610895 Z= -4.10759855 Total= 26.96911148
Reference Point [Bohr] 0.17146150 -0.05427563 -0.11892479
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.35690312 Y= 18.66492308 Z= 22.72337601 Total= 31.52317274
Reference Point [Bohr] 0.17214162 -0.05434907 0.05060721
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.43330626 Y= 15.62261123 Z= -5.25042974 Total= 23.99068905
Reference Point [Bohr] 0.17287290 -0.05443595 0.05106704
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.77597073 Y= -21.62053699 Z= 17.46405466 Total= 30.58866216
Reference Point [Bohr] 0.17364550 -0.05451009 0.05150390
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.63173176 Y= -21.76646213 Z= -12.82193123 Total= 31.99352569
Reference Point [Bohr] 0.17444806 -0.05456014 0.05190248
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.24600428 Y= 12.10921781 Z= -13.90414156 Total= 29.67044023
Reference Point [Bohr] 0.17526977 -0.05459417 -0.11681050
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.51853891 Y= -10.82653287 Z= -9.16199575 Total= 14.26400857
Reference Point [Bohr] 0.17610552 -0.05462169 -0.11648639
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.74881794 Y= -8.53032195 Z= -6.34620558 Total= 10.98165369
Reference Point [Bohr] 0.00788484 -0.22371890 -0.11620065
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.61768958 Y= 20.13958448 Z= -5.72590767 Total= 32.31748013
Reference Point [Bohr] 0.00875093 -0.22373810 -0.11594517
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.48370945 Y= -6.29501769 Z= -3.77820328 Total= 7.75054065
Reference Point [Bohr] 0.00961635 -0.22376021 -0.11570501
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.41634033 Y= 22.42796245 Z= -25.82698190 Total= 39.83558015
Reference Point [Bohr] 0.01046948 -0.22379203 -0.11547810
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.40724077 Y= 22.88000719 Z= -2.51150576 Total= 26.63750167
Reference Point [Bohr] 0.01131491 -0.22382506 -0.11527328
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.26764871 Y= -5.89816102 Z= 19.07938765 Total= 26.40043614
Reference Point [Bohr] 0.01217287 -0.22384209 -0.11510408
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.31662114 Y= -8.72192729 Z= 16.08385593 Total= 21.51344582
Reference Point [Bohr] 0.01304990 -0.22383194 -0.11497776
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.04973185 Y= 15.00738463 Z= -11.11015713 Total= 20.74981522
Reference Point [Bohr] 0.01393148 -0.05471679 -0.11488994
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.20412221 Y= 10.33788600 Z= -8.34766047 Total= 18.04150551
Reference Point [Bohr] 0.01480207 -0.05465928 -0.11482917
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.50155939 Y= -22.96308030 Z= -5.03262620 Total= 25.74709950
Reference Point [Bohr] 0.01566753 0.11444173 -0.11477477
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.85936618 Y= -0.94012546 Z= 26.01866702 Total= 28.20958531
Reference Point [Bohr] 0.01655353 0.11441891 -0.11470389
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.53867326 Y= -5.85169611 Z= -24.44093041 Total= 29.54744986
Reference Point [Bohr] 0.01747282 0.11437840 -0.28367852
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.36327573 Y= 16.51612785 Z= -18.90113664 Total= 25.66710291
Reference Point [Bohr] 0.01842231 -0.05473096 0.05459633
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.18587584 Y= 11.34289814 Z= -8.90224417 Total= 30.77309108
Reference Point [Bohr] 0.01938911 -0.05476337 0.05474543
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.18478430 Y= -20.48058529 Z= -26.46638900 Total= 33.72590310
Reference Point [Bohr] 0.02035609 -0.05479058 0.22398603
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.20929275 Y= 0.84525841 Z= -26.56326143 Total= 35.95012066
Reference Point [Bohr] 0.02131636 -0.05481011 0.22416595
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.12305416 Y= 16.54565916 Z= -24.32742795 Total= 29.42104230
Reference Point [Bohr] 0.02228124 -0.05481515 0.22434885
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.56449928 Y= 11.42907936 Z= -26.51978774 Total= 38.56768881
Reference Point [Bohr] 0.02326932 -0.05479743 0.22452820
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.87509374 Y= -22.16904937 Z= 26.77236049 Total= 39.55370020
Reference Point [Bohr] 0.02429543 -0.05476204 0.22469171
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.66704697 Y= -0.68851966 Z= 20.81918445 Total= 32.28584375
Reference Point [Bohr] 0.02535467 -0.05473187 0.22483624
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.08034665 Y= 22.45418300 Z= 21.14054983 Total= 41.04215340
Reference Point [Bohr] 0.02641899 -0.05473491 0.22496530
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.39120854 Y= -10.13455694 Z= -9.70597562 Total= 25.58317826
Reference Point [Bohr] 0.02746998 -0.05476908 0.05600015
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.44924216 Y= -8.12657667 Z= 12.15786578 Total= 22.00982772
Reference Point [Bohr] 0.02850592 -0.05480773 0.05608976
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.78696951 Y= 20.15835621 Z= -20.91069165 Total= 32.15115672
Reference Point [Bohr] 0.02952678 -0.05484738 0.05617399
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.82264563 Y= 17.25989474 Z= 0.82842276 Total= 22.76622662
Reference Point [Bohr] 0.03052516 -0.05489240 0.05626731
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.80775554 Y= -14.84921708 Z= -2.36035251 Total= 21.81640775
Reference Point [Bohr] 0.03149829 -0.05491702 0.05636638
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.64373510 Y= 8.50538839 Z= 23.83076185 Total= 32.65594343
Reference Point [Bohr] -0.13661259 -0.05490257 0.05645034
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.05169883 Y= 3.81727068 Z= 19.87135844 Total= 32.20295104
Reference Point [Bohr] -0.13563773 -0.05487602 0.05652434
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.88166129 Y= 10.02895914 Z= 11.55849524 Total= 15.32827976
Reference Point [Bohr] -0.13465644 -0.05486284 0.05662629
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.76665079 Y= 3.97280409 Z= -25.04128852 Total= 25.50497324
Reference Point [Bohr] -0.13368592 -0.22394095 0.05677202
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.09980034 Y= -25.83294293 Z= 22.39186555 Total= 34.32703519
Reference Point [Bohr] -0.13272385 -0.22395390 0.05694476
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.36383835 Y= -0.43951849 Z= 18.96140296 Total= 19.01546827
Reference Point [Bohr] -0.13175930 -0.22394326 0.05711914
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.41031315 Y= 23.72647487 Z= -4.31263825 Total= 24.11872334
Reference Point [Bohr] -0.29985697 -0.22388355 0.05727887
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.79199665 Y= -9.22633562 Z= 3.40137012 Total= 9.86518354
Reference Point [Bohr] -0.29886640 -0.22379369 0.05743933
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.85338901 Y= -13.29611719 Z= 11.01266302 Total= 17.36377061
Reference Point [Bohr] -0.29786356 -0.22372586 0.05761251
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.17573125 Y= -11.54658271 Z= 0.80921387 Total= 12.67937669
Reference Point [Bohr] -0.29685242 -0.22370236 0.05778814
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.45871361 Y= -5.13075262 Z= -15.30086089 Total= 24.51866788
Reference Point [Bohr] -0.29583073 -0.22369982 0.05797618
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.52060871 Y= -24.18992069 Z= 14.80508668 Total= 31.00174991
Reference Point [Bohr] -0.29479776 -0.22369952 0.05818791
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.27018383 Y= 11.05746757 Z= -14.82134401 Total= 18.53518800
Reference Point [Bohr] -0.12468857 -0.22369951 0.05840926
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.56743854 Y= 21.30335484 Z= 8.40815252 Total= 22.90964737
Reference Point [Bohr] 0.04541374 -0.22370400 0.05861849
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.25531058 Y= -10.18616983 Z= 5.50914867 Total= 26.87803688
Reference Point [Bohr] 0.04643190 -0.22371702 0.05880233
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.98020551 Y= -8.79009405 Z= -21.59035627 Total= 25.35771557
Reference Point [Bohr] 0.04743775 -0.22373841 0.05896983
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.00419421 Y= -8.58886533 Z= 8.82248682 Total= 16.51354509
Reference Point [Bohr] 0.04842608 -0.22375914 0.05914309
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.19423489 Y= -15.04718076 Z= 12.85201495 Total= 32.82879648
Reference Point [Bohr] 0.04940267 -0.22376078 0.05932604
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.02010238 Y= -1.89778030 Z= 16.41859765 Total= 28.33896668
Reference Point [Bohr] 0.05038874 -0.22373917 0.05950168
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.14336762 Y= -9.09573649 Z= -12.88610646 Total= 21.86562931
Reference Point [Bohr] 0.05139311 -0.22370034 0.05966576
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.22280863 Y= -14.38056610 Z= -9.91408436 Total= 22.52505351
Reference Point [Bohr] 0.05240528 -0.22364376 0.22888333
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.74014000 Y= 12.66143115 Z= -8.35133193 Total= 18.58513360
Reference Point [Bohr] 0.05342098 -0.22357086 0.22900599
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.13350785 Y= -15.69338668 Z= -5.44654280 Total= 18.07855492
Reference Point [Bohr] 0.22350819 -0.22349128 0.22913127
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.15883369 Y= -19.77032135 Z= 25.13032443 Total= 33.26083353
Reference Point [Bohr] 0.22449689 -0.22341267 0.22927351
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.71512660 Y= 21.54438906 Z= 25.66554965 Total= 35.84069730
Reference Point [Bohr] 0.22544374 -0.22333976 0.22941757
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.04631376 Y= 14.73085823 Z= -3.98692725 Total= 17.74061909
Reference Point [Bohr] 0.22635663 -0.22325811 0.22954364
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.82509822 Y= 12.65927440 Z= 21.59783842 Total= 25.49520397
Reference Point [Bohr] 0.22725399 -0.22315271 0.22964302
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.25407944 Y= -16.48443731 Z= -5.53762601 Total= 30.66219991
Reference Point [Bohr] 0.22814979 -0.05394870 0.22971512
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.76703941 Y= -16.82648531 Z= -2.75363417 Total= 22.55612028
Reference Point [Bohr] 0.05997414 -0.05380126 0.22976159
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.69939028 Y= -15.98503315 Z= 2.88137127 Total= 24.76874607
Reference Point [Bohr] 0.06087842 -0.05364926 0.22978409
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.10755737 Y= 11.82751658 Z= 9.86599500 Total= 26.12961890
Reference Point [Bohr] 0.06179134 -0.05349213 0.22977848
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.27271482 Y= -16.24153885 Z= -11.12108061 Total= 31.25109123
Reference Point [Bohr] 0.06271869 -0.05332859 0.22973409
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.86055496 Y= -16.59708535 Z= 21.72393633 Total= 37.63191404
Reference Point [Bohr] 0.06366886 -0.05316800 0.22965584
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.44554639 Y= 11.71224082 Z= -2.90704490 Total= 24.60770113
Reference Point [Bohr] 0.06463214 -0.05300813 0.22955994
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.63659608 Y= -14.59515431 Z= -2.34260824 Total= 16.63802700
Reference Point [Bohr] 0.06560035 -0.22189747 0.22945404
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.92604847 Y= 16.97709831 Z= -2.75977275 Total= 18.93833301
Reference Point [Bohr] 0.06655960 -0.22166925 0.22936341
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.21066498 Y= 22.95974608 Z= -3.32536086 Total= 30.76814820
Reference Point [Bohr] 0.06748575 -0.22139970 0.22931837
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.56964848 Y= 25.84445544 Z= 22.80656059 Total= 41.20029266
Reference Point [Bohr] 0.06837024 -0.22110064 0.22932408
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.09473435 Y= 25.59187625 Z= 18.79096098 Total= 41.73929772
Reference Point [Bohr] 0.06922945 -0.22078545 0.22937865
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.87900367 Y= 23.44190787 Z= -16.00111743 Total= 28.79867150
Reference Point [Bohr] 0.07008583 -0.22046438 0.22947350
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.30771380 Y= -7.05285600 Z= 4.18541815 Total= 21.90122696
Reference Point [Bohr] 0.07095322 -0.22014663 0.22957193
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.50573783 Y= -11.97769688 Z= 27.03241156 Total= 29.90849663
Reference Point [Bohr] 0.07184344 -0.21983347 0.22963034
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.39261311 Y= -21.22943037 Z= 23.65248118 Total= 41.95811998
Reference Point [Bohr] 0.07275213 -0.21950978 0.22964683
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.96313179 Y= 24.12539322 Z= -1.21744770 Total= 35.46267036
Reference Point [Bohr] 0.07366364 -0.21916388 0.06058222
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.79088399 Y= 14.71687758 Z= 1.70494043 Total= 15.07588608
Reference Point [Bohr] 0.07458225 -0.21879751 0.06060871
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.66863873 Y= -19.88964437 Z= -7.76259805 Total= 21.85525267
Reference Point [Bohr] 0.07553109 -0.21842180 0.06065957
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.33725550 Y= 1.89096244 Z= 15.74105158 Total= 24.24069683
Reference Point [Bohr] 0.07652282 -0.21805059 -0.10833771
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.23926986 Y= 25.25451502 Z= 12.17514307 Total= 30.59124653
Reference Point [Bohr] 0.07754025 -0.21768312 -0.10823439
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.81047829 Y= -7.89617013 Z= -16.99020315 Total= 26.54902257
Reference Point [Bohr] 0.07855726 -0.21731298 -0.10810692
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.40269325 Y= -6.02668723 Z= -12.84513101 Total= 22.45377656
Reference Point [Bohr] 0.07955361 -0.21695007 -0.10797401
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.70055054 Y= -5.54651635 Z= 21.15685626 Total= 26.92366427
Reference Point [Bohr] 0.08052203 -0.21660898 -0.10785367
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.82522654 Y= -17.23089586 Z= 25.70568388 Total= 31.69021416
Reference Point [Bohr] 0.08146459 -0.21629657 0.06132551
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.03531982 Y= -19.82771950 Z= 1.81703125 Total= 20.14083488
Reference Point [Bohr] -0.08669134 -0.21600192 0.06140731
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.95842538 Y= -13.27780164 Z= 6.79108945 Total= 30.80869376
Reference Point [Bohr] -0.25486021 -0.21570960 0.06145886
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.00311255 Y= 23.53914704 Z= -13.59908132 Total= 27.20354188
Reference Point [Bohr] -0.25396699 -0.21541233 0.06149000
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.62243058 Y= -1.38236312 Z= -10.63057950 Total= 18.13106793
Reference Point [Bohr] -0.25309879 -0.21509919 0.06150774
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.55608503 Y= 0.61397377 Z= -9.71137669 Total= 27.34595552
Reference Point [Bohr] -0.25226037 -0.21476547 0.06151178
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.83966658 Y= 3.52505338 Z= 18.59625478 Total= 18.94602157
Reference Point [Bohr] -0.25145153 -0.21441534 0.06150311
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.14888603 Y= -21.10280663 Z= -4.87827853 Total= 21.76565552
Reference Point [Bohr] -0.25067580 -0.21404796 0.06147831
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.77745969 Y= -19.83359466 Z= 4.10246438 Total= 32.00194056
Reference Point [Bohr] -0.24991915 -0.21365647 0.06142647
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.10535254 Y= -20.31324986 Z= -17.81801995 Total= 27.33063984
Reference Point [Bohr] -0.24914800 -0.21324311 0.06136189
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.20836818 Y= 5.23542857 Z= 14.86417543 Total= 16.93804177
Reference Point [Bohr] -0.07928043 -0.21282019 0.06131548
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.17647143 Y= -25.63311411 Z= 18.88261426 Total= 33.13332594
Reference Point [Bohr] -0.07847871 -0.21238728 0.06128154
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.81985879 Y= 24.67448969 Z= 21.72977882 Total= 35.28969409
Reference Point [Bohr] -0.07768349 -0.21193193 0.06123182
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.08481764 Y= -8.34591140 Z= 15.52691578 Total= 29.04562198
Reference Point [Bohr] -0.07688744 -0.21143740 0.06115097
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.64473280 Y= 15.60276424 Z= -18.60366595 Total= 33.89123821
Reference Point [Bohr] -0.07606932 -0.21088824 0.06103832
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.97833614 Y= 16.73175537 Z= 20.34274214 Total= 27.24841226
Reference Point [Bohr] -0.07521222 -0.21029174 0.22997576
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.90274010 Y= -8.55700848 Z= 20.37155225 Total= 30.41623052
Reference Point [Bohr] -0.07432773 -0.20967352 0.22981954
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.95449820 Y= -7.73774793 Z= -3.47231226 Total= 10.96789591
Reference Point [Bohr] -0.07345168 -0.20905485 0.22963651
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.37322865 Y= -7.95900473 Z= 0.02725448 Total= 23.74674418
Reference Point [Bohr] -0.07259335 -0.20844101 0.22943282
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.24972463 Y= 19.55566398 Z= -24.49213169 Total= 39.62748608
Reference Point [Bohr] -0.07173375 -0.03876558 0.22922627
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.10709350 Y= 20.23119777 Z= 5.36763611 Total= 21.33028592
Reference Point [Bohr] -0.07086680 -0.03818316 0.22903014
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.62174566 Y= 21.25919830 Z= -21.70260120 Total= 30.49311335
Reference Point [Bohr] -0.06999943 -0.03760451 0.22884413
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.91250936 Y= -4.89442395 Z= -4.23879349 Total= 6.53876360
Reference Point [Bohr] -0.06914752 -0.03701743 0.22865229
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.97216827 Y= -6.22107213 Z= -2.61603586 Total= 27.80365522
Reference Point [Bohr] -0.06831721 -0.03641717 0.22844457
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.36520517 Y= -19.47223724 Z= 4.06798680 Total= 33.02787585
Reference Point [Bohr] -0.06750407 -0.03582022 0.22822962
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.22733071 Y= 10.16155091 Z= -22.78674710 Total= 36.92994039
Reference Point [Bohr] -0.06671737 -0.03524712 0.22802215
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.40177986 Y= -14.51304285 Z= -23.10725636 Total= 37.28034509
Reference Point [Bohr] -0.06596313 -0.03468634 0.22782324
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.28020711 Y= -13.10428032 Z= 4.26638496 Total= 14.43067484
Reference Point [Bohr] -0.06524201 -0.03412268 0.22761707
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.45889082 Y= -14.14895377 Z= -22.82128891 Total= 37.69717527
Reference Point [Bohr] -0.06455222 -0.03354656 0.22739635
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.91576166 Y= -17.45443062 Z= 6.17669590 Total= 19.43720547
Reference Point [Bohr] -0.06389227 -0.20201898 0.22718275
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.79599290 Y= 4.90385460 Z= 8.95029779 Total= 14.14627503
Reference Point [Bohr] -0.06326345 -0.20138977 0.22700712
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.39405174 Y= 7.93106303 Z= -15.78671839 Total= 25.50418353
Reference Point [Bohr] -0.06265241 -0.20075381 0.05781117
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.19825438 Y= 19.50516780 Z= -12.92224016 Total= 32.94836670
Reference Point [Bohr] 0.10702337 -0.20013643 0.05774180
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.14820904 Y= -6.90724595 Z= -14.76965679 Total= 16.30566693
Reference Point [Bohr] 0.10761607 -0.19953004 0.05771357
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.78385317 Y= -7.87123640 Z= 13.17491612 Total= 27.47068879
Reference Point [Bohr] -0.06086253 -0.19891140 0.05771144
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.04118994 Y= -1.12303155 Z= 8.57963551 Total= 10.01423693
Reference Point [Bohr] -0.06025670 -0.19826810 0.05773287
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.07096289 Y= -26.36179614 Z= 7.11487222 Total= 29.85420988
Reference Point [Bohr] -0.05964062 -0.19760584 0.05778276
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.04250316 Y= 7.56380050 Z= 6.70813844 Total= 15.72361542
Reference Point [Bohr] -0.05902458 -0.19693931 0.05785299
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.18441678 Y= 17.81406650 Z= 8.05101667 Total= 22.04273530
Reference Point [Bohr] -0.05841694 -0.19628336 0.05792537
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.96913549 Y= -1.25503812 Z= -11.46840302 Total= 22.20197040
Reference Point [Bohr] -0.05781335 -0.19563159 0.22706730
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.66668221 Y= -20.01576672 Z= -24.08737422 Total= 38.66019913
Reference Point [Bohr] -0.05721014 -0.19495915 0.22713744
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.06811479 Y= -15.00320097 Z= -21.94139244 Total= 35.19458285
Reference Point [Bohr] -0.05660472 -0.19426238 0.22721153
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.13069992 Y= -14.91685385 Z= 4.50699265 Total= 21.03573606
Reference Point [Bohr] -0.22505847 -0.19356019 0.22727978
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.25125048 Y= -13.06743873 Z= -26.12844918 Total= 31.30566161
Reference Point [Bohr] -0.22441095 -0.19287070 0.22733094
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.98816060 Y= -6.40664343 Z= 1.32785667 Total= 16.35399773
Reference Point [Bohr] -0.22374346 -0.19219946 0.22737071
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.56354336 Y= 0.05897643 Z= 3.06254893 Total= 12.93156239
Reference Point [Bohr] -0.05399786 -0.19153025 0.22740750
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.85737987 Y= -24.24998265 Z= -23.47394003 Total= 35.16042458
Reference Point [Bohr] -0.05332545 -0.19084288 0.05836663
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.53469737 Y= 4.73592647 Z= 4.30575631 Total= 21.50912209
Reference Point [Bohr] -0.05267146 -0.19013446 0.05840981
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.57365746 Y= -23.83265157 Z= -22.89127053 Total= 33.36051394
Reference Point [Bohr] -0.05206526 -0.18940709 0.05847496
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.13160188 Y= 0.00991776 Z= 4.97307380 Total= 8.69432613
Reference Point [Bohr] -0.05150855 -0.18864949 0.05855210
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.72448535 Y= -11.09890030 Z= -20.80913139 Total= 26.79772499
Reference Point [Bohr] -0.05097577 -0.18785951 0.05863576
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.66888239 Y= -5.45673792 Z= 8.59063686 Total= 15.48347011
Reference Point [Bohr] -0.05044923 -0.18705775 0.05873552
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.94912787 Y= -0.53319637 Z= 9.01915470 Total= 15.78953332
Reference Point [Bohr] -0.04992110 -0.18626330 0.05885589
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.50116031 Y= 1.25311259 Z= 10.94518233 Total= 18.21128655
Reference Point [Bohr] -0.04938964 -0.18547744 0.05898526
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.57675174 Y= 0.65796993 Z= -8.13335186 Total= 11.13514723
Reference Point [Bohr] -0.04885108 -0.18469430 0.05912134
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.87247182 Y= 1.12188482 Z= 1.53879084 Total= 17.97364047
Reference Point [Bohr] -0.04828844 -0.18391898 0.05927804
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.41663173 Y= -21.24802180 Z= 5.43941898 Total= 35.11036036
Reference Point [Bohr] -0.04769718 -0.18316272 0.05945247
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.92945973 Y= -12.69217489 Z= -20.23206315 Total= 24.20471724
Reference Point [Bohr] -0.04709040 -0.18242940 0.05963435
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.94158763 Y= 17.68125701 Z= -19.52416674 Total= 33.03765812
Reference Point [Bohr] -0.04648034 -0.18171163 0.05981616
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.27546277 Y= 17.23908402 Z= -19.58577343 Total= 30.23455476
Reference Point [Bohr] -0.04587962 -0.18099329 0.05997822
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.60617282 Y= -11.61363138 Z= 7.60118598 Total= 25.68036538
Reference Point [Bohr] -0.04530233 -0.18026859 0.06011168
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.01172256 Y= 14.88896423 Z= -20.58620265 Total= 25.48568271
Reference Point [Bohr] -0.04476455 -0.17953186 0.06021694
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.32486712 Y= -12.73836417 Z= -22.45703293 Total= 34.79416152
Reference Point [Bohr] -0.04425810 -0.17875974 0.06029477
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.03337937 Y= -11.81957427 Z= -26.42973965 Total= 29.57423102
Reference Point [Bohr] -0.04374823 -0.17794534 0.06035076
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.01321605 Y= -10.02436402 Z= -4.97945953 Total= 21.20751857
Reference Point [Bohr] -0.04322555 -0.17712089 0.06038412
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.11981912 Y= 19.76099601 Z= -9.85269811 Total= 25.18854182
Reference Point [Bohr] -0.04269662 -0.17632706 0.06039237
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.38145233 Y= -5.30459289 Z= -12.08079547 Total= 25.98102641
Reference Point [Bohr] -0.21124321 -0.17557958 0.06038219
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.26064210 Y= -3.70967227 Z= -14.01892636 Total= 16.21754877
Reference Point [Bohr] -0.21073127 -0.17487672 0.06036237
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.90192658 Y= 22.79793376 Z= -15.74921435 Total= 32.98882405
Reference Point [Bohr] -0.04115006 -0.17421205 0.06034049
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.07593409 Y= 18.90898000 Z= 12.34110299 Total= 25.15012253
Reference Point [Bohr] 0.12845031 -0.17357066 0.06032303
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.14221807 Y= -13.42616058 Z= 16.26741087 Total= 25.96492273
Reference Point [Bohr] 0.12899942 -0.17293417 0.06031508
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.24629987 Y= 10.73211942 Z= 21.94955301 Total= 27.33007730
Reference Point [Bohr] 0.12954945 -0.17230237 0.22939375
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.24380017 Y= -17.95867328 Z= 26.88336281 Total= 33.91407649
Reference Point [Bohr] 0.13007825 -0.17169119 0.22940812
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.86208709 Y= 9.97823470 Z= 2.96945714 Total= 14.34027912
Reference Point [Bohr] 0.13058319 -0.17110363 0.22943578
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.89017668 Y= 10.99761985 Z= 4.26946476 Total= 16.05527701
Reference Point [Bohr] 0.13106817 -0.17053176 0.22949037
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.36804486 Y= -16.40599665 Z= 3.33153382 Total= 22.06120025
Reference Point [Bohr] 0.13153418 -0.33905253 0.22957237
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.81388455 Y= -18.56463272 Z= 3.06404697 Total= 25.23372120
Reference Point [Bohr] 0.13199423 -0.33852215 0.22967843
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.37107859 Y= 5.20541460 Z= 5.84013600 Total= 8.96157674
Reference Point [Bohr] 0.13245911 -0.33799902 0.22980751
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.98769192 Y= -27.01147374 Z= -19.32076975 Total= 40.96731893
Reference Point [Bohr] 0.13291066 -0.33746640 0.22994416
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.10186776 Y= -6.29529477 Z= -18.89114530 Total= 26.91066189
Reference Point [Bohr] 0.13332687 -0.33692580 0.23006336
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.31561140 Y= 14.47839724 Z= 7.35861166 Total= 21.00187276
Reference Point [Bohr] 0.13370669 -0.33638128 0.23015815
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.22616101 Y= 14.33654630 Z= 19.05091627 Total= 27.26545994
Reference Point [Bohr] 0.13407589 -0.50489591 0.23023540
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.67113410 Y= -10.60164487 Z= -18.84722350 Total= 29.91502118
Reference Point [Bohr] 0.13446078 -0.50431608 0.23030029
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.18087987 Y= 1.45240202 Z= -18.28805297 Total= 18.38360221
Reference Point [Bohr] 0.13485951 -0.50372748 0.23035551
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.15245103 Y= 0.80402295 Z= -15.31745289 Total= 30.31866605
Reference Point [Bohr] 0.13527038 -0.50314488 0.23040548
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.57866346 Y= 27.39375763 Z= 11.77368281 Total= 29.92803150
Reference Point [Bohr] 0.13569022 -0.33349305 0.23044911
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.08946619 Y= 16.87773350 Z= 7.91651572 Total= 19.08540917
Reference Point [Bohr] 0.13611852 -0.33291649 0.23048668
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.41811612 Y= -14.93556895 Z= 0.32138462 Total= 15.89120795
Reference Point [Bohr] 0.13656558 -0.33234046 0.23052392
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.25093099 Y= 8.70368791 Z= 25.62847466 Total= 27.06724705
Reference Point [Bohr] 0.13702735 -0.33176257 0.23056546
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.86047704 Y= 9.84921373 Z= -0.77403883 Total= 10.05323440
Reference Point [Bohr] 0.13749533 -0.33118645 0.23060749
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.30979738 Y= 12.45420532 Z= -22.93737751 Total= 36.35679249
Reference Point [Bohr] 0.13797401 -0.33060792 0.23064413
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.52554837 Y= 14.90071150 Z= 10.90288970 Total= 29.12566800
Reference Point [Bohr] 0.13845981 -0.33001655 0.23067557
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.97305141 Y= -17.90290332 Z= -11.85719292 Total= 22.90581848
Reference Point [Bohr] 0.13892749 -0.16033735 0.23069957
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.22348317 Y= 7.27990745 Z= -11.24031336 Total= 20.27550583
Reference Point [Bohr] -0.02971752 -0.15972244 0.23071611
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.59371029 Y= 24.57398291 Z= -14.83848457 Total= 30.59882282
Reference Point [Bohr] -0.02932367 -0.15910494 0.23073836
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.99339882 Y= -11.35709294 Z= 6.68238961 Total= 15.41208343
Reference Point [Bohr] -0.02894961 -0.15849637 0.39985186
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.23670355 Y= 8.54173944 Z= 26.17556913 Total= 32.48423742
Reference Point [Bohr] -0.02858681 -0.15790006 0.39990905
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.84956483 Y= -22.32104439 Z= -14.80940190 Total= 26.85085283
Reference Point [Bohr] -0.02823143 -0.15730486 0.39997095
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.07326011 Y= 22.01070985 Z= 26.88145769 Total= 44.04594792
Reference Point [Bohr] -0.02788274 -0.15670773 0.23095251
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.45748972 Y= 19.82640153 Z= 19.34751491 Total= 27.70598902
Reference Point [Bohr] -0.02754625 -0.15611943 0.23101004
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.13660071 Y= -10.11850507 Z= -14.48495965 Total= 22.01745851
Reference Point [Bohr] -0.02722787 -0.15553721 0.23109040
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.42953904 Y= -11.59786936 Z= -20.38590612 Total= 33.15175775
Reference Point [Bohr] -0.02693485 -0.15495497 0.23119929
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.55592301 Y= 16.28061445 Z= -24.07239309 Total= 30.02716251
Reference Point [Bohr] -0.02667605 -0.15438933 0.23133293
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.02311164 Y= -7.58541110 Z= -21.74580309 Total= 25.11734820
Reference Point [Bohr] -0.02644342 -0.15385092 0.06241818
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.24733879 Y= -24.59668448 Z= -12.46218481 Total= 38.76493788
Reference Point [Bohr] 0.14285344 -0.15331448 0.06260436
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.75039423 Y= 14.35210312 Z= -11.00104435 Total= 19.67420777
Reference Point [Bohr] -0.02598693 -0.15274095 0.06280928
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.24252194 Y= -4.29465214 Z= -10.59632850 Total= 19.86317532
Reference Point [Bohr] -0.02572413 -0.15212200 0.06301509
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.94741143 Y= 5.49654562 Z= 17.19632642 Total= 22.21623548
Reference Point [Bohr] -0.02542945 -0.15148528 0.06321476
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.02747293 Y= 7.97999777 Z= -10.10360344 Total= 16.95194166
Reference Point [Bohr] -0.02511317 -0.15085053 0.06341942
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.02771567 Y= -21.04068067 Z= 16.67256285 Total= 38.09438291
Reference Point [Bohr] -0.02479048 -0.15021607 0.06364626
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.76816792 Y= -25.48631065 Z= -14.15226840 Total= 29.39452025
Reference Point [Bohr] -0.02446209 -0.14958522 0.06390157
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.60231232 Y= 25.38396820 Z= -20.82667381 Total= 37.73780872
Reference Point [Bohr] -0.19317493 -0.14895918 0.06417714
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.84810158 Y= -0.27058295 Z= 1.16140413 Total= 13.89935222
Reference Point [Bohr] -0.19277364 -0.14832326 0.06446657
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.31881868 Y= -25.55994426 Z= 3.29064048 Total= 28.56382956
Reference Point [Bohr] -0.19235710 -0.14765524 0.06476094
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.32600828 Y= 25.91912187 Z= 6.84424896 Total= 31.91919776
Reference Point [Bohr] -0.02286624 -0.14693772 0.06504205
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.31936769 Y= -3.20339520 Z= -20.16896290 Total= 27.43443161
Reference Point [Bohr] -0.02245782 -0.14617433 0.06531191
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.76422255 Y= -9.78989369 Z= 5.77423406 Total= 13.22643202
Reference Point [Bohr] -0.02206086 -0.14538369 0.06560624
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.95897055 Y= 22.20483158 Z= -20.04608099 Total= 32.21671747
Reference Point [Bohr] -0.02165662 -0.14457587 0.06595660
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.61726955 Y= -1.15238046 Z= -23.88498981 Total= 25.41806549
Reference Point [Bohr] -0.02122706 -0.14374943 0.06634974
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.06863373 Y= 3.48750660 Z= 23.81333111 Total= 31.98632158
Reference Point [Bohr] -0.02076744 -0.14290642 0.06675555
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.88554439 Y= 9.22779278 Z= -10.60302005 Total= 26.01063719
Reference Point [Bohr] -0.02029828 -0.48021116 0.06716568
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.01548741 Y= -12.85116142 Z= 11.99061334 Total= 27.39667624
Reference Point [Bohr] -0.01984380 -0.47938991 0.06757611
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.29400552 Y= -8.10569888 Z= 0.42298516 Total= 22.78850460
Reference Point [Bohr] -0.01940501 -0.47859654 0.06798826
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.62136746 Y= -1.93580830 Z= 21.70683357 Total= 21.85321051
Reference Point [Bohr] -0.01897180 -0.47783315 0.06841342
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.30585553 Y= -21.18244816 Z= -3.19667189 Total= 33.92510658
Reference Point [Bohr] -0.01854128 -0.47710449 0.06886460
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.59569751 Y= 10.41926546 Z= 1.51526390 Total= 25.83822862
Reference Point [Bohr] -0.01810999 -0.47639306 0.06934671
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.78025094 Y= 11.52239713 Z= 5.90420854 Total= 13.80130839
Reference Point [Bohr] -0.01766695 -0.30658951 0.06984420
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.85459943 Y= -16.06217401 Z= -18.74730677 Total= 24.85163341
Reference Point [Bohr] -0.01720847 -0.13674853 0.07034915
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.11351454 Y= -16.84227414 Z= 10.74398333 Total= 19.97769410
Reference Point [Bohr] -0.01674266 -0.13594278 0.07086970
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.98716384 Y= 9.19765181 Z= -15.12529977 Total= 17.81348680
Reference Point [Bohr] -0.18535195 -0.13510487 0.07139873
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.66020098 Y= -20.14391308 Z= 13.48171524 Total= 35.29843898
Reference Point [Bohr] -0.18489307 -0.13425515 0.07192314
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.26496897 Y= 5.15495505 Z= -11.73138383 Total= 13.50514304
Reference Point [Bohr] -0.18443830 -0.13341614 -0.09663022
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.39319678 Y= -25.39959885 Z= -10.22644618 Total= 31.41130896
Reference Point [Bohr] -0.18397845 -0.13258572 -0.09609957
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.56074826 Y= 26.15640100 Z= -10.88055141 Total= 29.59442723
Reference Point [Bohr] -0.01443522 -0.13175167 -0.09555212
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.48360094 Y= 23.89469446 Z= -12.91594166 Total= 27.92516882
Reference Point [Bohr] -0.01397169 -0.13091113 -0.26406495
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.80675489 Y= 23.90020182 Z= 13.01729175 Total= 32.52306953
Reference Point [Bohr] -0.18260853 -0.13007186 -0.26348592
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.57603576 Y= 21.01264659 Z= 15.04334274 Total= 30.17360382
Reference Point [Bohr] -0.18219476 -0.12924072 -0.09380846
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.23873090 Y= -16.04056885 Z= 14.78532088 Total= 25.01383811
Reference Point [Bohr] -0.18177558 -0.12841369 -0.09317977
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.64486779 Y= 11.30137458 Z= 12.36061624 Total= 20.98567566
Reference Point [Bohr] -0.18132527 -0.12758804 0.07654662
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.50816767 Y= -15.74069817 Z= -18.37213979 Total= 28.73688160
Reference Point [Bohr] -0.18084826 -0.12677103 0.07720673
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.08010223 Y= -16.47876594 Z= -23.36490940 Total= 33.30463347
Reference Point [Bohr] -0.18037111 -0.12597348 0.24692132
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.34362007 Y= 4.76105112 Z= -27.44842443 Total= 30.88908882
Reference Point [Bohr] -0.01083247 -0.12519088 0.24753265
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.82075248 Y= 4.37881533 Z= 10.71866781 Total= 27.38856726
Reference Point [Bohr] -0.01037180 -0.12441243 0.24811791
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.45180367 Y= -23.82285208 Z= 6.87525706 Total= 25.89067050
Reference Point [Bohr] -0.00992062 -0.29272038 0.07960989
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.99079420 Y= -23.99066552 Z= 5.39507583 Total= 29.88889363
Reference Point [Bohr] -0.00949201 -0.29198866 0.08016306
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.16149216 Y= 3.68726034 Z= -18.52196927 Total= 23.01921177
Reference Point [Bohr] -0.00908812 -0.29130285 0.08070831
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.92411335 Y= 3.22199238 Z= 17.88866826 Total= 26.23943126
Reference Point [Bohr] -0.00870745 -0.29066055 0.08124771
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.75967503 Y= 1.15143019 Z= 26.64639193 Total= 26.93494293
Reference Point [Bohr] -0.00834202 -0.29005570 0.08177312
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.35045539 Y= 25.71835373 Z= -18.99790569 Total= 32.00277908
Reference Point [Bohr] -0.00798228 -0.28947854 0.08229269
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.43311584 Y= 25.34657876 Z= -8.42347476 Total= 27.72463152
Reference Point [Bohr] -0.00762183 -0.28890413 0.08281519
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.65826378 Y= -27.15878627 Z= -26.04870789 Total= 40.03352375
Reference Point [Bohr] -0.00725176 -0.28832647 0.08333772
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.99540449 Y= 4.25356248 Z= 8.62743982 Total= 13.16976893
Reference Point [Bohr] -0.00687188 -0.11868927 0.08386049
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.96386046 Y= 8.02266358 Z= -15.15222592 Total= 27.08203328
Reference Point [Bohr] -0.00649450 -0.11813840 0.08438798
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.28183707 Y= -17.24234378 Z= -14.70637955 Total= 30.41264430
Reference Point [Bohr] -0.00612770 -0.11757912 0.08491924
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.51997125 Y= -16.80747339 Z= -16.44230410 Total= 27.63458143
Reference Point [Bohr] -0.00576694 -0.11699158 0.08545081
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.69937982 Y= 7.94507619 Z= 5.80009337 Total= 24.73918274
Reference Point [Bohr] -0.00540622 -0.11637723 0.08598826
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.48817100 Y= -24.76739894 Z= 7.50356335 Total= 34.94884390
Reference Point [Bohr] -0.00504697 -0.11575762 0.25560659
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.26999842 Y= -1.87542301 Z= 12.09269964 Total= 22.82725203
Reference Point [Bohr] -0.00469668 -0.11515260 0.25614495
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.70172869 Y= 20.89073664 Z= 9.68062941 Total= 29.04287627
Reference Point [Bohr] -0.00436496 -0.28362242 0.25665593
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.35225706 Y= -2.38030497 Z= 7.76048622 Total= 8.12496666
Reference Point [Bohr] -0.00405168 -0.28298550 0.25712198
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.07540845 Y= 1.94025873 Z= -19.83697372 Total= 20.03939746
Reference Point [Bohr] -0.00374168 -0.28230689 0.25753805
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.54598970 Y= 25.98970601 Z= -18.81511268 Total= 32.12263015
Reference Point [Bohr] -0.00342445 -0.28160350 0.25790619
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.67708101 Y= -5.60299570 Z= 10.71339863 Total= 12.96323870
Reference Point [Bohr] 0.16595978 -0.28088825 0.08918230
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.21785601 Y= 17.49010362 Z= 13.67264672 Total= 30.02676630
Reference Point [Bohr] 0.16623441 -0.28015767 0.08955796
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.66202454 Y= -14.42666875 Z= -10.60397774 Total= 25.14995480
Reference Point [Bohr] 0.16645815 -0.27941465 -0.07910189
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.11229937 Y= 9.19452821 Z= 18.93120375 Total= 23.79943322
Reference Point [Bohr] 0.16664837 -0.27868143 -0.24773897
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.40007225 Y= -21.07711087 Z= -8.40117073 Total= 28.59347454
Reference Point [Bohr] 0.16683377 -0.27797502 -0.24729799
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.19012143 Y= -21.58783490 Z= 17.68360678 Total= 28.81739771
Reference Point [Bohr] 0.16702863 -0.10821691 -0.24686817
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.19668338 Y= 3.80884517 Z= 15.11685654 Total= 15.91368712
Reference Point [Bohr] 0.16722859 -0.10753939 -0.24645824
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.70615538 Y= 21.83167074 Z= 11.45090383 Total= 36.34506543
Reference Point [Bohr] 0.16741481 -0.10685987 -0.24605145
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.03948173 Y= 11.58760151 Z= 6.38958961 Total= 13.83534520
Reference Point [Bohr] 0.16757431 -0.10617730 -0.24563947
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.24525278 Y= -21.31084538 Z= -24.11296194 Total= 32.78094334
Reference Point [Bohr] 0.16770793 -0.10549917 -0.24522257
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.76406493 Y= -23.26990961 Z= -14.53244603 Total= 35.01935469
Reference Point [Bohr] 0.16782062 -0.27390843 -0.24480057
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.16553608 Y= -22.53836838 Z= -16.81265391 Total= 28.14252752
Reference Point [Bohr] 0.16791383 -0.27325190 0.09376631
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.80201693 Y= -21.08480751 Z= -21.06811852 Total= 38.77595608
Reference Point [Bohr] 0.16797694 -0.44165612 0.09417582
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.91290290 Y= 7.82086701 Z= 3.03688967 Total= 26.28766613
Reference Point [Bohr] -0.00106236 -0.27189659 0.09458924
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.47786214 Y= -18.35156560 Z= -27.37255546 Total= 42.27427038
Reference Point [Bohr] -0.17010913 -0.27121854 0.09501790
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.60264066 Y= -17.39439353 Z= -1.18304120 Total= 17.80290798
Reference Point [Bohr] -0.17006358 -0.27057208 0.09545816
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.02811587 Y= 10.95390612 Z= -0.28656013 Total= 13.58384410
Reference Point [Bohr] -0.33906130 -0.26995447 0.09589759
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.29948092 Y= 13.22321865 Z= 0.39323343 Total= 14.25105758
Reference Point [Bohr] -0.33896440 -0.26936111 0.09631636
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.01652860 Y= -19.84130076 Z= -17.66801423 Total= 30.51773376
Reference Point [Bohr] -0.33885636 -0.26879817 0.09670051
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.45805253 Y= 27.45120823 Z= -19.52917338 Total= 33.77868364
Reference Point [Bohr] -0.33873847 -0.26826259 0.09705119
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.05841656 Y= 26.19361769 Z= -22.50517374 Total= 35.70214787
Reference Point [Bohr] -0.33860757 -0.26774575 0.09737637
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.40149969 Y= 4.18572055 Z= -23.57912933 Total= 25.37874689
Reference Point [Bohr] -0.33846091 -0.26723152 0.09768457
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.57118573 Y= -1.26936845 Z= 0.83531777 Total= 18.63324962
Reference Point [Bohr] -0.33829355 -0.26670210 -0.07109195
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.34431358 Y= -7.40742136 Z= -7.84522343 Total= 23.91646178
Reference Point [Bohr] -0.33809870 -0.26615762 -0.07080760
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.24814524 Y= 18.06014512 Z= 22.99616257 Total= 39.96815925
Reference Point [Bohr] -0.33787173 -0.26561233 -0.07053241
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.29824925 Y= -10.38968021 Z= -6.10521829 Total= 12.79429919
Reference Point [Bohr] -0.33761057 -0.09599940 -0.07026988
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.19524113 Y= -11.40220259 Z= 19.35214701 Total= 32.28831103
Reference Point [Bohr] -0.33732405 -0.09546428 -0.07003445
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.27302987 Y= -12.89630813 Z= -7.84624816 Total= 30.30099787
Reference Point [Bohr] -0.33702509 -0.09493611 -0.06982516
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.52085655 Y= 12.12223436 Z= 19.95194379 Total= 23.60985086
Reference Point [Bohr] -0.33671268 -0.09441716 -0.06962139
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.14507421 Y= 9.10444789 Z= -9.15574111 Total= 23.09225916
Reference Point [Bohr] -0.16730133 -0.09390743 0.09965873
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.02994224 Y= -21.06908764 Z= 5.92976176 Total= 25.47249347
Reference Point [Bohr] -0.16692693 -0.09341559 0.09985995
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.80864071 Y= -14.37567202 Z= 1.57330774 Total= 26.16776744
Reference Point [Bohr] -0.16651073 -0.09295225 0.10004903
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.94960463 Y= 11.53650592 Z= 4.09253553 Total= 17.10651534
Reference Point [Bohr] 0.00301828 -0.09250809 0.10022574
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.03865039 Y= -18.73922533 Z= 7.15926260 Total= 22.89684278
Reference Point [Bohr] 0.00350121 -0.09205338 0.10038957
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.51306632 Y= 26.76687690 Z= -20.33435397 Total= 33.91635915
Reference Point [Bohr] 0.00399888 -0.09157621 0.10054247
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.08943610 Y= -7.74522029 Z= 19.29485144 Total= 20.79153021
Reference Point [Bohr] 0.00450743 -0.09110409 0.10070218
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.31612154 Y= -13.59104896 Z= 18.94782756 Total= 35.91527916
Reference Point [Bohr] 0.00503179 -0.09066684 0.10088226
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.98877445 Y= 7.56991177 Z= 15.09113891 Total= 26.16480731
Reference Point [Bohr] 0.00558208 -0.09026337 0.10107762
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.83288581 Y= 0.99991551 Z= 18.54964144 Total= 28.66642516
Reference Point [Bohr] 0.00616576 -0.08987395 0.10127512
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.82297772 Y= 16.51801780 Z= -6.62755403 Total= 30.54422379
Reference Point [Bohr] 0.00678444 -0.08947503 0.10147465
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.18633779 Y= 11.73744158 Z= -4.57091990 Total= 29.96260680
Reference Point [Bohr] 0.00743113 -0.08905835 0.10168863
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.59031260 Y= 12.09086739 Z= -3.22620733 Total= 13.32923320
Reference Point [Bohr] 0.00808478 -0.08863558 0.10191767
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.45428162 Y= 12.33234867 Z= -3.84139509 Total= 21.71393762
Reference Point [Bohr] 0.00872337 -0.08822216 0.10216870
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.94507354 Y= 10.17472259 Z= 21.41012997 Total= 26.54436714
Reference Point [Bohr] 0.00933662 -0.08784674 0.10245536
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.98665907 Y= -21.22845008 Z= 18.81797603 Total= 34.70201515
Reference Point [Bohr] 0.00992003 -0.08752755 0.27184254
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.63894654 Y= -25.51755133 Z= 17.60339527 Total= 31.34557028
Reference Point [Bohr] 0.01046984 -0.08724099 0.27216042
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.09678884 Y= -3.06658738 Z= -9.56261947 Total= 10.50893670
Reference Point [Bohr] 0.01098847 -0.08695105 0.27247147
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.64286654 Y= -8.60446771 Z= -9.65403947 Total= 12.94799676
Reference Point [Bohr] 0.01149128 -0.08664251 0.10371149
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.17853458 Y= -11.00347760 Z= 16.90731978 Total= 23.56375789
Reference Point [Bohr] 0.01199653 -0.08632167 0.10403595
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.69295403 Y= 17.97373752 Z= 14.64108249 Total= 27.44630093
Reference Point [Bohr] 0.01250043 -0.08600472 0.10436294
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.28848469 Y= -5.36892073 Z= 11.61997489 Total= 19.18358467
Reference Point [Bohr] 0.18206165 -0.08570483 0.10468706
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.15926005 Y= -26.40650666 Z= -18.00036428 Total= 34.95427518
Reference Point [Bohr] 0.18253110 -0.08542077 0.10501496
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.88124611 Y= 5.41741084 Z= -20.41797276 Total= 24.74203818
Reference Point [Bohr] 0.18297942 -0.08514525 0.10534863
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.59501766 Y= -20.03729015 Z= 0.50299862 Total= 23.67235675
Reference Point [Bohr] 0.18339057 -0.08487684 0.10567711
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.99449344 Y= 8.75908282 Z= 21.95155057 Total= 28.53797338
Reference Point [Bohr] 0.18375839 -0.08461305 0.10599458
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.36338535 Y= 6.49077297 Z= -5.76188280 Total= 14.29880952
Reference Point [Bohr] 0.18410200 -0.08434059 0.10630972
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.71161972 Y= 13.18362625 Z= 18.62390665 Total= 31.49686224
Reference Point [Bohr] 0.18444508 -0.08404881 0.10663802
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.47158080 Y= -17.01337712 Z= 17.74940480 Total= 36.12811871
Reference Point [Bohr] 0.18479750 -0.08374893 0.10699840
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.13541736 Y= 8.53060510 Z= -9.67097014 Total= 13.27138760
Reference Point [Bohr] 0.18516790 -0.08344874 0.10739175
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.95730755 Y= -20.58646388 Z= 18.73386265 Total= 31.13786343
Reference Point [Bohr] 0.18555564 -0.08314769 0.10779149
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.03093097 Y= -22.67915087 Z= 20.26371458 Total= 30.41320387
Reference Point [Bohr] 0.01687217 -0.25192729 0.10817551
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.05496366 Y= -25.26803753 Z= -23.33645665 Total= 34.76516342
Reference Point [Bohr] 0.01726164 -0.25164699 0.10854834
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.59042294 Y= 0.87158965 Z= -11.85075317 Total= 23.77321047
Reference Point [Bohr] 0.01765144 -0.42045405 0.10893280
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.12347370 Y= -25.48962957 Z= -10.89523432 Total= 33.67691483
Reference Point [Bohr] 0.01802532 -0.42018704 0.10934389
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.93033597 Y= 5.35722603 Z= -11.26037456 Total= 15.94074899
Reference Point [Bohr] 0.01837779 -0.41991032 0.10978537
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.42635069 Y= 8.25503145 Z= -13.84396289 Total= 19.19660495
Reference Point [Bohr] 0.01873172 -0.41964398 0.11026021
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.09450868 Y= 8.90293706 Z= 8.74094907 Total= 21.97902917
Reference Point [Bohr] 0.01910734 -0.41941000 0.11076616
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.28690957 Y= -19.21364454 Z= -23.36887777 Total= 36.42564048
Reference Point [Bohr] -0.14957569 -0.41920731 0.11130583
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.71591313 Y= 7.75518955 Z= -26.51145688 Total= 35.76329152
Reference Point [Bohr] -0.14918572 -0.41903345 0.11188576
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.50352324 Y= -19.28635823 Z= -1.29604851 Total= 19.64479653
Reference Point [Bohr] -0.14879819 -0.41889605 0.11250171
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.34858735 Y= 10.23428949 Z= 22.49389045 Total= 34.69249912
Reference Point [Bohr] -0.31747986 -0.41878830 0.11314297
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.69542136 Y= -13.01732861 Z= 13.49488429 Total= 30.21648126
Reference Point [Bohr] -0.31707963 -0.41868873 0.11379892
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.80582769 Y= -6.54733250 Z= -19.52686612 Total= 21.39798352
Reference Point [Bohr] -0.31667586 -0.41859164 0.11445958
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.47286620 Y= -2.40231514 Z= -22.80989003 Total= 26.10813269
Reference Point [Bohr] -0.31628471 -0.41850082 0.11512482
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.71326244 Y= -1.88511738 Z= -0.47151924 Total= 25.78658301
Reference Point [Bohr] -0.14684724 -0.41840046 0.11579183
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.69644184 Y= -2.74860400 Z= 26.63040133 Total= 37.10849259
Reference Point [Bohr] -0.14651067 -0.24918453 0.28552096
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.10496400 Y= 23.58016995 Z= -24.85538858 Total= 34.50602101
Reference Point [Bohr] -0.14618607 -0.24898479 0.28616649
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.42003123 Y= -5.29776352 Z= 7.33518473 Total= 22.33492576
Reference Point [Bohr] -0.14584730 -0.24875616 0.28682057
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.81082412 Y= -6.45044080 Z= 12.25465740 Total= 16.41387938
Reference Point [Bohr] -0.14547582 -0.24853898 0.28749902
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.92484105 Y= 21.09491215 Z= 15.80496008 Total= 32.44906302
Reference Point [Bohr] -0.14507700 -0.24833806 0.28820206
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.62382760 Y= -3.37430613 Z= -11.34232791 Total= 23.77764936
Reference Point [Bohr] 0.02440354 -0.24814478 0.28891930
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.28437558 Y= 1.03656424 Z= -12.52638485 Total= 26.46028967
Reference Point [Bohr] 0.02480957 -0.24795916 0.28964281
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.21451888 Y= 1.10861701 Z= -9.77396684 Total= 28.93768300
Reference Point [Bohr] 0.02522474 -0.24777038 0.29035451
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.12184777 Y= -2.44459451 Z= 19.99112687 Total= 20.78110970
Reference Point [Bohr] 0.02565292 -0.24756641 0.29102535
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.64068674 Y= -8.69988494 Z= -11.87623620 Total= 18.16472401
Reference Point [Bohr] 0.02608199 -0.24735262 0.12257318
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.65618675 Y= -10.32235079 Z= 10.19865510 Total= 20.62443458
Reference Point [Bohr] 0.02650270 -0.24715012 0.12315029
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.71169104 Y= -7.68197168 Z= 7.63714081 Total= 15.95312871
Reference Point [Bohr] 0.02691631 -0.24697818 0.12370292
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.52825865 Y= -6.63932660 Z= 9.19759966 Total= 16.90070301
Reference Point [Bohr] 0.02733183 -0.41590211 0.12425872
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.14784083 Y= -7.51380358 Z= 13.43073652 Total= 21.59395771
Reference Point [Bohr] 0.02777044 -0.41575683 0.12481915
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.23052778 Y= 18.28979830 Z= -9.06712403 Total= 30.92550535
Reference Point [Bohr] 0.02826198 -0.41561385 0.12536135
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.05949107 Y= 16.62698577 Z= -5.80865008 Total= 18.07419540
Reference Point [Bohr] 0.02882239 -0.41547551 0.12586235
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.07663123 Y= -11.75863176 Z= 20.91225260 Total= 30.65135541
Reference Point [Bohr] 0.02943982 -0.41534153 0.12631696
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.65230681 Y= 15.32052144 Z= 16.58598160 Total= 33.42976809
Reference Point [Bohr] 0.03008977 -0.41521168 0.29581150
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.12135430 Y= -15.08652292 Z= -13.46859132 Total= 33.03530349
Reference Point [Bohr] 0.19983400 -0.41508688 0.29621902
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.92010526 Y= -21.94164961 Z= 21.37332903 Total= 31.90334558
Reference Point [Bohr] 0.20052777 -0.24589864 0.29662231
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.86864594 Y= 1.10404431 Z= -2.33900148 Total= 10.20196130
Reference Point [Bohr] 0.03217376 -0.24578960 0.29701353
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.08916748 Y= 23.23379456 Z= -1.06349827 Total= 23.80839902
Reference Point [Bohr] 0.03291715 -0.24568207 0.12830357
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.59917916 Y= -23.68049125 Z= -25.54651714 Total= 37.76938226
Reference Point [Bohr] 0.03366907 -0.07652512 0.12864005
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.84130508 Y= 2.24303803 Z= 10.15323735 Total= 20.65022070
Reference Point [Bohr] 0.03440697 -0.07648333 0.12897573
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.93289628 Y= -25.76428434 Z= -23.16418719 Total= 35.77952699
Reference Point [Bohr] 0.03512738 -0.07646065 0.12932864
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.04748753 Y= 24.59548557 Z= -22.13093915 Total= 36.77279203
Reference Point [Bohr] 0.03583957 -0.07642358 -0.03937948
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.54486190 Y= 19.65795219 Z= 4.95887112 Total= 24.95152290
Reference Point [Bohr] 0.03655360 -0.07636517 -0.03899913
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -18.58204580 Y= 16.24839232 Z= -25.63373302 Total= 35.58638711
Reference Point [Bohr] 0.03727507 -0.07629991 0.13047590
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.17199468 Y= -12.21256887 Z= -1.67074036 Total= 28.92942304
Reference Point [Bohr] 0.03800432 -0.07623658 0.13090351
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.07361261 Y= -11.79555737 Z= -7.40709215 Total= 17.18946942
Reference Point [Bohr] 0.03875154 -0.24524564 0.13136643
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.49364469 Y= 16.51146122 Z= -10.40363789 Total= 22.64879469
Reference Point [Bohr] -0.12955266 -0.24517507 0.13185972
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.84574985 Y= -8.41219054 Z= -8.54789632 Total= 21.50121552
Reference Point [Bohr] -0.12878315 -0.24508877 0.13236551
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.88259719 Y= -4.32330602 Z= 20.74148043 Total= 27.72520997
Reference Point [Bohr] -0.12803340 -0.24499884 0.13287560
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.66516679 Y= 0.84008465 Z= 25.33713989 Total= 30.89877858
Reference Point [Bohr] -0.12730022 -0.24492948 0.13339684
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.34376424 Y= 5.33052593 Z= -14.79417204 Total= 24.92916461
Reference Point [Bohr] -0.12657240 -0.24488047 0.13394548
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.93876757 Y= 6.89026419 Z= -10.96771839 Total= 27.21821412
Reference Point [Bohr] -0.12584029 -0.24482610 0.13453360
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.15665709 Y= -22.18531784 Z= 16.14375021 Total= 28.62411664
Reference Point [Bohr] -0.12509760 -0.24473960 0.13515691
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.87647774 Y= 2.05415394 Z= -13.01279080 Total= 16.46502613
Reference Point [Bohr] -0.12434809 -0.24462481 0.13580459
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.36507575 Y= 24.12148234 Z= 12.68274597 Total= 30.80670961
Reference Point [Bohr] -0.12360085 -0.07542664 0.13647752
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.45044343 Y= 15.84784561 Z= -15.66228351 Total= 30.24370963
Reference Point [Bohr] -0.12284973 -0.07529237 0.13717991
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.69839149 Y= 7.46230661 Z= 14.43919072 Total= 16.26849715
Reference Point [Bohr] -0.12208155 -0.07512885 -0.03116744
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.20530564 Y= 22.41203791 Z= 0.62615776 Total= 32.26728570
Reference Point [Bohr] -0.12130140 -0.07492609 -0.03042785
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.14191236 Y= 11.14334024 Z= 8.86239841 Total= 30.64962551
Reference Point [Bohr] -0.12051960 -0.07468779 -0.02969347
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.61655731 Y= -15.01507014 Z= 6.93542120 Total= 17.46705798
Reference Point [Bohr] -0.11973638 -0.07441756 -0.02899288
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.69524053 Y= -11.27612213 Z= 1.95793849 Total= 19.42485595
Reference Point [Bohr] -0.11894254 -0.07411840 -0.02834380
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.73446106 Y= 21.40943551 Z= 24.21627653 Total= 34.74130793
Reference Point [Bohr] -0.11812671 -0.07380175 -0.02774645
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.41230955 Y= -3.03613465 Z= -6.70618025 Total= 11.94916475
Reference Point [Bohr] -0.11729084 -0.07348957 -0.02719276
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.74418391 Y= 17.86893841 Z= 19.77811021 Total= 35.69676278
Reference Point [Bohr] -0.11645112 -0.07320204 0.14240550
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.94281457 Y= -1.70781908 Z= 3.98588223 Total= 5.86086085
Reference Point [Bohr] -0.11561107 -0.24202243 -0.02617036
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.64626556 Y= -24.47728143 Z= 18.91778470 Total= 38.93797323
Reference Point [Bohr] -0.11476580 -0.24179662 -0.02571747
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.67093102 Y= 4.68703074 Z= -19.64947609 Total= 23.84581013
Reference Point [Bohr] -0.11392111 -0.24158575 -0.02530969
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.60439024 Y= 3.82035701 Z= -20.48519764 Total= 22.94521218
Reference Point [Bohr] -0.28215368 -0.24139173 -0.02492029
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.25318175 Y= -0.28411760 Z= 23.62021635 Total= 25.02219719
Reference Point [Bohr] -0.28130791 -0.24121997 -0.02452017
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.98536673 Y= -4.84412702 Z= 18.98507105 Total= 33.34829091
Reference Point [Bohr] -0.28044378 -0.24106537 -0.02409899
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.03757809 Y= 20.47675589 Z= 13.60208859 Total= 35.08838358
Reference Point [Bohr] -0.27954879 -0.24092986 -0.02367171
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.06050061 Y= 20.93717498 Z= -7.16642732 Total= 22.70091723
Reference Point [Bohr] -0.27861558 -0.24082501 -0.02325562
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.09139165 Y= 17.59112176 Z= 26.64937090 Total= 32.19279453
Reference Point [Bohr] -0.27765027 -0.24075647 -0.02284457
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.40379098 Y= 18.46074748 Z= 18.51278967 Total= 29.37999645
Reference Point [Bohr] 0.06147108 -0.24071686 -0.02241192
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.56814395 Y= -8.57331323 Z= -15.78884083 Total= 28.84632240
Reference Point [Bohr] 0.06242813 -0.24067328 -0.02193386
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.04116161 Y= 14.55387944 Z= 10.27838813 Total= 19.54791420
Reference Point [Bohr] 0.06335313 -0.24058920 0.14766448
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.93080504 Y= -16.71257912 Z= 8.58893361 Total= 22.25812639
Reference Point [Bohr] 0.06425336 -0.07138854 0.14821821
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.84879712 Y= 3.55868414 Z= 10.27950036 Total= 16.08497292
Reference Point [Bohr] 0.06515568 -0.07123573 0.14877888
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.38777502 Y= -3.61976019 Z= -14.87228437 Total= 17.95599694
Reference Point [Bohr] 0.06607252 -0.24013657 0.14933077
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.69620959 Y= -9.01097637 Z= 16.98078022 Total= 19.29823098
Reference Point [Bohr] 0.06699674 -0.23993829 0.14987156
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.18162089 Y= 17.04588706 Z= 21.39070838 Total= 30.36247355
Reference Point [Bohr] 0.06793263 -0.40878232 0.15041257
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.31838480 Y= -5.83988124 Z= -4.39515160 Total= 8.48940621
Reference Point [Bohr] 0.06889128 -0.40852882 0.15097292
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -27.49760503 Y= 25.14820402 Z= -16.94836861 Total= 40.93650750
Reference Point [Bohr] 0.06987460 -0.40828061 -0.01750436
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.36962642 Y= 1.99278691 Z= -21.67779941 Total= 22.02844908
Reference Point [Bohr] -0.09819855 -0.40807328 -0.01687331
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.42156304 Y= 27.16190999 Z= -25.11265061 Total= 37.54531990
Reference Point [Bohr] -0.09721104 -0.23884988 -0.18530145
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.09023266 Y= -22.14068751 Z= -6.20144064 Total= 29.88486059
Reference Point [Bohr] -0.09625646 -0.23874747 -0.18466462
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 19.55500468 Y= 12.76044569 Z= 10.60596224 Total= 25.64592789
Reference Point [Bohr] -0.09530850 -0.23866281 -0.18404561
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.20504926 Y= 9.86552580 Z= 7.14747389 Total= 21.90522315
Reference Point [Bohr] -0.09433159 -0.23856932 -0.18344194
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.14902406 Y= 5.48755402 Z= 4.03714705 Total= 9.87523926
Reference Point [Bohr] -0.09330987 -0.23845466 -0.18285181
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.99127881 Y= -22.16212635 Z= -0.43110134 Total= 29.18928508
Reference Point [Bohr] -0.09224695 -0.23831880 -0.01320146
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.33154896 Y= 5.75024251 Z= -6.16722609 Total= 14.12458737
Reference Point [Bohr] -0.09115688 -0.23817927 -0.01262864
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.56756270 Y= -20.96702255 Z= -11.98333077 Total= 26.77731796
Reference Point [Bohr] 0.07902395 -0.40713102 -0.01204524
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.68991934 Y= 8.01835303 Z= -15.81198701 Total= 18.10879408
Reference Point [Bohr] 0.08012342 -0.40703037 -0.18051823
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.19537206 Y= 9.88241091 Z= -17.96003703 Total= 20.50032062
Reference Point [Bohr] 0.08117808 -0.57600765 -0.17990157
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.03260541 Y= -16.71183534 Z= -19.48900308 Total= 25.67309378
Reference Point [Bohr] 0.08219137 -0.57588799 -0.17926797
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.83386050 Y= -15.37833647 Z= 6.92285406 Total= 28.38669276
Reference Point [Bohr] 0.08319812 -0.57572933 0.15952295
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.11707997 Y= 3.26007319 Z= 5.79049017 Total= 15.60287795
Reference Point [Bohr] 0.08421485 -0.57553544 0.16016183
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.57271211 Y= 8.69444110 Z= -22.96620491 Total= 28.05812517
Reference Point [Bohr] 0.08525539 -0.57530694 0.16078664
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.95137842 Y= -11.61194942 Z= -23.27126368 Total= 26.08058589
Reference Point [Bohr] -0.08273592 -0.57504429 0.16139632
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.63632594 Y= -27.15487045 Z= 7.70159332 Total= 29.24063957
Reference Point [Bohr] 0.08747269 -0.57475632 0.16199294
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.94076404 Y= -24.47768038 Z= -13.47145409 Total= 34.91636451
Reference Point [Bohr] 0.08866397 -0.57444638 0.16258430
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.90927405 Y= 3.66645829 Z= -9.95910167 Total= 10.78294718
Reference Point [Bohr] 0.08989011 -0.40504530 0.16317649
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 27.43534413 Y= -25.14050496 Z= 21.71766033 Total= 43.08595905
Reference Point [Bohr] 0.09112363 -0.40471413 0.16376365
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -24.78045339 Y= 25.44725349 Z= -0.01254705 Total= 35.51948392
Reference Point [Bohr] -0.07672196 -0.06624133 0.16433320
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.32595826 Y= 21.00476212 Z= 2.75783854 Total= 26.74588975
Reference Point [Bohr] -0.07551110 -0.06592105 -0.00419668
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.37413378 Y= 17.99829262 Z= -25.01132856 Total= 38.08026991
Reference Point [Bohr] -0.07432072 -0.06560027 0.16540578
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.89267217 Y= 1.15873167 Z= 0.64217287 Total= 2.31024955
Reference Point [Bohr] -0.07314822 -0.06527293 0.16593900
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.14312994 Y= -1.46435287 Z= 24.61517382 Total= 26.29920031
Reference Point [Bohr] -0.07197814 -0.06494015 0.16648911
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.51141044 Y= -1.63339213 Z= -13.75385381 Total= 25.58470722
Reference Point [Bohr] -0.07079919 -0.06460730 -0.00201866
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.85454826 Y= -3.03361883 Z= 3.39844623 Total= 8.23025588
Reference Point [Bohr] -0.06961598 -0.06428477 -0.00144969
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.74528945 Y= 19.69708400 Z= -0.53782829 Total= 30.09339744
Reference Point [Bohr] -0.06843294 -0.06398283 -0.00087936
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 1.03674670 Y= 12.77961058 Z= 24.98912725 Total= 28.08646953
Reference Point [Bohr] 0.10184239 -0.06370574 -0.00030150
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.61776092 Y= -23.70893923 Z= 25.38228117 Total= 35.78602800
Reference Point [Bohr] 0.10308576 -0.06345389 0.00026958
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.81320566 Y= -7.74149279 Z= -20.01966557 Total= 25.52493625
Reference Point [Bohr] 0.10436458 -0.06323115 0.00081360
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.39539189 Y= -10.15865130 Z= 5.31604035 Total= 20.00668279
Reference Point [Bohr] 0.10565187 -0.06304454 0.00133770
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.29707046 Y= -8.41488102 Z= 8.29307069 Total= 21.77999154
Reference Point [Bohr] 0.10692102 -0.06288779 0.00186025
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.91147863 Y= 22.32883359 Z= 2.92253590 Total= 30.73122133
Reference Point [Bohr] 0.10816084 -0.06274991 0.00238970
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.02432140 Y= -3.50141507 Z= -10.11087183 Total= 25.38915147
Reference Point [Bohr] 0.10937095 -0.06262732 0.00291508
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.85289758 Y= -3.50169776 Z= 17.53475507 Total= 18.29137345
Reference Point [Bohr] 0.11054870 -0.06251835 0.00341520
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.04421239 Y= -4.93491922 Z= -3.93502572 Total= 23.89296088
Reference Point [Bohr] 0.11170647 -0.06242238 0.17295894
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.97023853 Y= 21.01715398 Z= 5.53726908 Total= 22.53942897
Reference Point [Bohr] 0.11286305 -0.06233495 0.17340594
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.00793037 Y= 21.42487000 Z= -11.64211675 Total= 25.66497391
Reference Point [Bohr] -0.05504283 -0.06225092 0.17383007
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.25576868 Y= -7.16760802 Z= 24.02275636 Total= 30.43401026
Reference Point [Bohr] -0.05384819 -0.06217013 0.17423349
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.34111324 Y= 17.18867037 Z= -25.64255409 Total= 36.42896692
Reference Point [Bohr] -0.05261577 -0.06210445 0.00555016
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.91917421 Y= 14.53691212 Z= -21.86918936 Total= 26.27599929
Reference Point [Bohr] -0.05135617 -0.06207531 -0.16313853
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.58611798 Y= -14.59675368 Z= 9.62112527 Total= 17.55411746
Reference Point [Bohr] -0.05008859 -0.06207702 -0.16276115
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.22574879 Y= -15.75448247 Z= -13.74090691 Total= 21.32775641
Reference Point [Bohr] -0.04881652 -0.23115198 -0.16241001
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.33817538 Y= -16.51830348 Z= 15.66972171 Total= 23.92160835
Reference Point [Bohr] -0.04754438 -0.23114999 -0.16210034
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.65697553 Y= -16.67294337 Z= 15.50034688 Total= 24.72862653
Reference Point [Bohr] -0.04629067 -0.23117943 0.00725558
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.03998374 Y= 11.29086576 Z= 13.99694944 Total= 24.09728868
Reference Point [Bohr] -0.04505551 -0.23128192 0.00754502
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.02661217 Y= 11.46054285 Z= -19.29881112 Total= 26.46760288
Reference Point [Bohr] -0.21290228 -0.23147467 0.00785833
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.19440601 Y= 8.38095107 Z= 13.68555277 Total= 20.15535248
Reference Point [Bohr] -0.21169633 -0.23174671 0.00818156
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.13961698 Y= 9.31254385 Z= -18.85425074 Total= 23.34562221
Reference Point [Bohr] -0.21053131 -0.23207192 0.00849333
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.08503972 Y= -16.03900270 Z= -20.08888541 Total= 26.66478413
Reference Point [Bohr] -0.20940545 -0.23242624 0.17786088
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.76867509 Y= -16.48078837 Z= 6.71126224 Total= 29.69187333
Reference Point [Bohr] -0.20830451 -0.23280351 0.17814378
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.59759999 Y= 3.09936102 Z= -24.94301920 Total= 25.18556275
Reference Point [Bohr] -0.20722087 -0.23321680 0.17842534
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.98898669 Y= 23.91982295 Z= -26.48520343 Total= 44.14806179
Reference Point [Bohr] -0.20615430 -0.23367802 0.17871041
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.05276827 Y= 19.58645698 Z= -1.14290577 Total= 19.85585366
Reference Point [Bohr] -0.20510314 -0.23417876 0.17899290
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.42878458 Y= 17.77146473 Z= 22.89144963 Total= 29.18218615
Reference Point [Bohr] -0.20406528 -0.06562777 0.17926029
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.19482732 Y= 16.46949742 Z= 10.94127779 Total= 19.77356474
Reference Point [Bohr] -0.20304393 -0.06615721 0.17949544
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.22102437 Y= 14.66579889 Z= -25.89896466 Total= 35.98238255
Reference Point [Bohr] -0.20203728 -0.06667963 0.17968581
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.58473993 Y= 11.75382982 Z= 26.62009809 Total= 32.11428494
Reference Point [Bohr] -0.20103937 -0.06718550 0.17984500
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.67133136 Y= 9.23134438 Z= -2.12737925 Total= 12.18986409
Reference Point [Bohr] -0.20004956 -0.06767847 0.17999580
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.80878337 Y= -21.31031397 Z= -1.56779661 Total= 21.38320833
Reference Point [Bohr] -0.19907213 -0.06816570 0.18014780
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.19520841 Y= 25.00919262 Z= 0.41129829 Total= 30.35299119
Reference Point [Bohr] -0.19811575 -0.06864263 0.18029415
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.04730109 Y= 20.79478560 Z= 11.05933321 Total= 28.49996196
Reference Point [Bohr] -0.19717997 -0.06910660 0.18041949
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.47924779 Y= -7.65674431 Z= 18.57361252 Total= 22.21398105
Reference Point [Bohr] -0.19624552 -0.06955533 0.18052907
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.50899903 Y= 22.53743871 Z= -10.71806478 Total= 29.92256850
Reference Point [Bohr] -0.19529993 -0.06998267 0.18065469
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.30695822 Y= -23.97086025 Z= -13.44696979 Total= 29.35398654
Reference Point [Bohr] -0.19435788 -0.07038309 0.18081289
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.16058302 Y= -12.90721451 Z= -12.36255703 Total= 18.60270464
Reference Point [Bohr] -0.19343676 -0.07075782 0.18098820
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.33959418 Y= -5.03207058 Z= 16.40364415 Total= 17.31689858
Reference Point [Bohr] -0.19252461 -0.24018850 0.18116188
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.33987519 Y= 2.23408412 Z= -10.76030653 Total= 28.54057382
Reference Point [Bohr] -0.02253446 -0.24052945 0.18132839
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.18755984 Y= -17.45119075 Z= 16.14248383 Total= 33.20823353
Reference Point [Bohr] -0.02161074 -0.24084403 0.18149283
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.90824891 Y= -12.24858204 Z= 13.83714660 Total= 29.43267328
Reference Point [Bohr] -0.02066470 -0.24112900 0.18166787
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.08408911 Y= -11.96759285 Z= -16.77957319 Total= 22.13887648
Reference Point [Bohr] -0.01969104 -0.24140125 0.18186721
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.10453359 Y= 14.47116312 Z= -18.05372581 Total= 28.19055835
Reference Point [Bohr] -0.01870006 -0.24168289 0.18209457
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.75829802 Y= 12.38838334 Z= -19.39838297 Total= 29.07105867
Reference Point [Bohr] -0.01769934 -0.07290897 0.18233260
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.68069412 Y= 8.93607968 Z= 7.64775498 Total= 23.79144354
Reference Point [Bohr] -0.01668751 -0.07320995 0.18256170
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 2.95347662 Y= 5.74457205 Z= -19.38123676 Total= 20.42927974
Reference Point [Bohr] -0.01565378 -0.07348450 0.18278339
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.53874564 Y= -24.25769601 Z= 10.31276736 Total= 36.01303963
Reference Point [Bohr] -0.01458995 -0.07372831 0.18302067
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.70336122 Y= -26.83954249 Z= 13.37272317 Total= 38.22355424
Reference Point [Bohr] -0.01349302 -0.07395769 0.18328581
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.48255017 Y= -2.77505735 Z= 11.62148520 Total= 11.95795619
Reference Point [Bohr] -0.01236341 -0.07417397 0.18356314
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.41788840 Y= -7.24758648 Z= -21.84950322 Total= 23.27252161
Reference Point [Bohr] -0.01121150 -0.07435940 0.18383164
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.98297724 Y= 15.72948083 Z= -1.81974802 Total= 16.92702179
Reference Point [Bohr] -0.01004149 -0.07450050 0.01501291
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.79652109 Y= -15.69192288 Z= -6.65246484 Total= 26.88841799
Reference Point [Bohr] -0.00885539 -0.07459856 0.01525967
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.41568697 Y= -19.27517593 Z= 18.33069859 Total= 33.53128677
Reference Point [Bohr] -0.00767050 -0.07467529 0.01550425
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.34541523 Y= -22.66659736 Z= -10.42240351 Total= 26.30678784
Reference Point [Bohr] -0.00649767 -0.07475837 0.01575462
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.09576895 Y= 1.90590571 Z= -9.67882747 Total= 19.73771754
Reference Point [Bohr] -0.00532698 -0.07486452 0.01601990
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.56537999 Y= 27.17736737 Z= -5.18101761 Total= 30.38652686
Reference Point [Bohr] -0.00414804 -0.07500437 0.01630402
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.86974099 Y= -27.26979634 Z= 26.62346069 Total= 40.55638256
Reference Point [Bohr] -0.00296554 -0.07518057 0.01660552
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.79686403 Y= 10.32585425 Z= -0.72181295 Total= 17.24812271
Reference Point [Bohr] -0.00179238 -0.07538737 0.01693451
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.42449409 Y= -16.35452034 Z= 25.23714512 Total= 32.53846774
Reference Point [Bohr] -0.16972043 -0.24468742 0.01730345
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.68729552 Y= -17.79473367 Z= 23.92147231 Total= 32.40149458
Reference Point [Bohr] -0.16861972 -0.24491162 0.01770245
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.16183247 Y= -18.63031894 Z= -4.49547041 Total= 28.55032735
Reference Point [Bohr] -0.16754405 -0.24511169 -0.15096416
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.51910846 Y= 7.89585531 Z= 21.91367363 Total= 33.10139100
Reference Point [Bohr] -0.16645758 -0.24528895 0.01850223
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.54262829 Y= -21.29949255 Z= -6.34158537 Total= 22.68302360
Reference Point [Bohr] -0.16535571 -0.24545051 0.01887126
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.97128384 Y= -23.82348358 Z= -5.23606620 Total= 32.82852529
Reference Point [Bohr] -0.16426213 -0.07652050 0.01922511
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.03479858 Y= 0.33401637 Z= -2.44123550 Total= 21.17862009
Reference Point [Bohr] -0.16318827 -0.07666101 0.01957606
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.10102700 Y= -3.11227089 Z= -26.81550039 Total= 27.91382947
Reference Point [Bohr] -0.16211606 -0.07682259 0.01992004
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.05390127 Y= 22.21347322 Z= -24.53016983 Total= 38.69530437
Reference Point [Bohr] -0.16102051 -0.24607707 0.02023971
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.63661007 Y= 22.44588418 Z= 4.29554163 Total= 24.09537732
Reference Point [Bohr] 0.00918676 -0.24625936 0.02052241
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.98493044 Y= 25.38073160 Z= -22.40723722 Total= 34.56956854
Reference Point [Bohr] 0.01036483 -0.24642267 0.02077910
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -19.58137078 Y= -25.32001202 Z= -22.31870781 Total= 39.02124817
Reference Point [Bohr] 0.01158139 -0.24654891 0.02104356
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 11.22075854 Y= 6.34620379 Z= 4.65206640 Total= 13.70479648
Reference Point [Bohr] 0.01282057 -0.24664201 0.02134763
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.17313391 Y= -17.47258247 Z= -2.60017666 Total= 19.90473417
Reference Point [Bohr] 0.01406587 -0.24672419 0.02169879
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.22134327 Y= -13.23917306 Z= -5.95879719 Total= 15.79519166
Reference Point [Bohr] 0.01530451 -0.24681130 0.02208099
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.20544003 Y= 20.17818841 Z= -12.27238762 Total= 34.54106241
Reference Point [Bohr] 0.01652723 -0.24690527 0.02247254
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.83714112 Y= -5.38414078 Z= 8.06887187 Total= 10.10668268
Reference Point [Bohr] 0.01772521 -0.24700141 0.02285234
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.49774722 Y= 21.73663722 Z= -25.40301622 Total= 34.05899807
Reference Point [Bohr] 0.01889164 -0.24709560 0.02320129
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.05735041 Y= 22.63079541 Z= -1.93772065 Total= 23.78474000
Reference Point [Bohr] -0.14904627 -0.24718136 0.02352194
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.31544288 Y= 24.05638192 Z= -5.00621517 Total= 25.14012002
Reference Point [Bohr] -0.14793095 -0.07817645 0.02383209
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.97615452 Y= 25.38253700 Z= 18.39872738 Total= 40.71298266
Reference Point [Bohr] -0.14684457 -0.07822054 0.02412836
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.11584547 Y= -1.06903132 Z= 11.39622219 Total= 28.51410340
Reference Point [Bohr] -0.14581081 -0.24730899 0.02440507
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.54103619 Y= -2.17608055 Z= -24.72116215 Total= 32.86164063
Reference Point [Bohr] -0.14482339 -0.24729534 0.19375168
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.39236817 Y= 17.01147357 Z= -1.81926088 Total= 17.66331909
Reference Point [Bohr] -0.14383978 -0.24725617 0.19403982
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.89016870 Y= 10.41563396 Z= -0.87366644 Total= 26.07659648
Reference Point [Bohr] -0.14280959 -0.24719566 -0.14379054
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.17870834 Y= 5.70324903 Z= -24.31180991 Total= 26.60525958
Reference Point [Bohr] -0.14171440 -0.24712164 -0.14343188
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -15.67312280 Y= -24.91913062 Z= 3.15686556 Total= 29.60702027
Reference Point [Bohr] -0.14058725 -0.24704900 -0.14302600
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.79457359 Y= -2.17098586 Z= 20.36614238 Total= 24.14941093
Reference Point [Bohr] -0.13947036 -0.24699079 -0.14258371
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -14.50546262 Y= -12.07003448 Z= 8.58989075 Total= 20.73355737
Reference Point [Bohr] -0.13838352 -0.24694308 -0.14211699
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.60480323 Y= -17.36068030 Z= 26.36597320 Total= 33.30194611
Reference Point [Bohr] -0.13732260 -0.24689629 -0.14163137
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.19646309 Y= 22.39294428 Z= 19.27660188 Total= 31.96537260
Reference Point [Bohr] -0.13626557 -0.07778572 -0.14114297
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.91262033 Y= 11.80066663 Z= 15.81902178 Total= 24.73627757
Reference Point [Bohr] -0.13519158 -0.07777141 -0.14066759
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.01325385 Y= 8.18172006 Z= 9.99215341 Total= 18.33380617
Reference Point [Bohr] -0.13409006 -0.07776984 -0.14019883
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.12590371 Y= 5.35829252 Z= -25.05473707 Total= 30.81797732
Reference Point [Bohr] -0.13295984 -0.24682887 -0.13972208
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 3.27994554 Y= 4.22664546 Z= 23.13033796 Total= 23.74100059
Reference Point [Bohr] -0.13181687 -0.24678175 -0.13924004
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 14.29099190 Y= 12.35210916 Z= 16.80541544 Total= 25.28297922
Reference Point [Bohr] -0.13067972 -0.24670300 -0.13876647
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.29959740 Y= 22.05644505 Z= -20.25007697 Total= 32.76326719
Reference Point [Bohr] -0.12954847 -0.24660776 -0.13830666
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.83606702 Y= -3.12392683 Z= 16.87096426 Total= 27.77052712
Reference Point [Bohr] -0.12841586 -0.24651735 -0.13785896
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -26.26048313 Y= 3.43692881 Z= -17.49841365 Total= 31.74302969
Reference Point [Bohr] -0.12729588 -0.24645179 -0.13741410
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.07999993 Y= 10.51850847 Z= -18.74142978 Total= 30.81244242
Reference Point [Bohr] -0.12620163 -0.24641033 -0.13695135
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.95844003 Y= 14.57131891 Z= -16.97459618 Total= 24.09800610
Reference Point [Bohr] -0.12511688 -0.24637706 -0.13645603
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.69832198 Y= 16.26514279 Z= 15.09270589 Total= 27.77010260
Reference Point [Bohr] -0.12402606 -0.24634609 -0.13592996
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -16.76888031 Y= 16.76575666 Z= 21.88185343 Total= 32.26610377
Reference Point [Bohr] -0.12293933 -0.41539717 -0.13538171
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.12597428 Y= 17.32051432 Z= 1.58950575 Total= 19.19786975
Reference Point [Bohr] -0.12187348 -0.41538985 0.03425261
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.72351875 Y= 18.92677296 Z= -20.10231230 Total= 37.73625725
Reference Point [Bohr] -0.12082420 -0.41540154 0.03481998
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 16.32714239 Y= 21.77025261 Z= -15.97267841 Total= 31.55385765
Reference Point [Bohr] -0.11977435 -0.24636508 0.03539777
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.20552583 Y= 24.26037257 Z= -13.02823517 Total= 31.45645569
Reference Point [Bohr] -0.11871942 -0.24642923 0.03599105
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.72121092 Y= 24.93134177 Z= 16.90705965 Total= 39.61061927
Reference Point [Bohr] -0.11766846 -0.24651505 0.20567836
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.03745545 Y= -2.57639825 Z= 19.61853196 Total= 23.16084969
Reference Point [Bohr] -0.11663240 -0.24660749 0.20632307
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.31107855 Y= 26.08118530 Z= 23.13907018 Total= 36.65494910
Reference Point [Bohr] -0.11561990 -0.24667885 0.20699529
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.04341930 Y= 0.34199656 Z= -0.66718513 Total= 8.07828519
Reference Point [Bohr] -0.11463381 -0.24672491 0.20767072
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.47233735 Y= 1.82302621 Z= -25.19602689 Total= 33.81078440
Reference Point [Bohr] -0.11366379 -0.24676278 0.03925111
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.18824385 Y= 2.99871820 Z= -23.18109270 Total= 34.36281417
Reference Point [Bohr] -0.11269002 -0.24679902 0.03987402
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.09132301 Y= 3.73701373 Z= -22.10352452 Total= 30.77945702
Reference Point [Bohr] 0.05736917 -0.24682983 0.04047407
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.62366971 Y= -24.42035813 Z= 26.33716261 Total= 38.41359658
Reference Point [Bohr] 0.05835728 -0.24684852 0.04106942
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.02650229 Y= -27.14031315 Z= 25.39756052 Total= 40.88440361
Reference Point [Bohr] 0.05934230 -0.24685797 0.04167462
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.51046177 Y= 23.79999339 Z= 0.43465733 Total= 32.76201308
Reference Point [Bohr] 0.06033180 -0.07780015 0.04229530
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.47976708 Y= 21.95612749 Z= -24.37347290 Total= 41.53740780
Reference Point [Bohr] 0.06133538 -0.07782816 0.04293340
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 10.87690380 Y= 18.48613774 Z= 25.77569204 Total= 33.53253085
Reference Point [Bohr] 0.06236430 -0.07786066 0.04358133
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.46341929 Y= 14.10451772 Z= 6.48323557 Total= 24.12193225
Reference Point [Bohr] 0.06342884 -0.07788329 0.04421877
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.91306773 Y= 10.89815640 Z= -3.62817189 Total= 23.85979560
Reference Point [Bohr] 0.06452651 -0.07787971 0.04482627
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -7.18909644 Y= 9.93498241 Z= 26.01760199 Total= 28.76286836
Reference Point [Bohr] 0.06564717 -0.07784994 0.04540057
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -6.72492750 Y= -15.70358465 Z= 25.30436306 Total= 30.53093530
Reference Point [Bohr] 0.06677969 -0.07779380 0.04595324
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -5.23025434 Y= 15.52502961 Z= 24.54810167 Total= 29.51256343
Reference Point [Bohr] 0.06791328 -0.07771121 0.04649394
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -2.82590469 Y= 18.55183318 Z= 24.34476647 Total= 30.73798800
Reference Point [Bohr] -0.10004233 -0.07760926 0.04702461
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 0.30252120 Y= -9.03098103 Z= 27.32701544 Total= 28.78221517
Reference Point [Bohr] -0.09895995 -0.07750129 0.04755019
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.79636199 Y= 15.51657413 Z= 6.88795716 Total= 29.23140214
Reference Point [Bohr] -0.09791281 -0.07739107 0.04808171
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.27550249 Y= 11.47251520 Z= 8.99564576 Total= 19.05854688
Reference Point [Bohr] -0.09687834 -0.07725241 0.04862863
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -12.71126317 Y= -21.26090289 Z= 9.62401140 Total= 26.57487156
Reference Point [Bohr] -0.09583282 -0.07704549 0.04919687
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.92526018 Y= -25.54634846 Z= 10.05183302 Total= 31.73750429
Reference Point [Bohr] -0.09476636 -0.07676613 0.04978879
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.32483171 Y= 0.07686378 Z= 9.97742904 Total= 13.65677432
Reference Point [Bohr] -0.09368923 -0.07645631 0.05039413
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.35414902 Y= 26.39159664 Z= 8.75430798 Total= 35.05929209
Reference Point [Bohr] -0.09261919 -0.07615580 0.05099649
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.23272079 Y= 24.10890138 Z= 5.94576229 Total= 24.86183452
Reference Point [Bohr] -0.09156526 -0.07587261 0.05159024
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.83371499 Y= 19.94609369 Z= 2.52640726 Total= 21.57768472
Reference Point [Bohr] -0.09052602 -0.07560668 0.05218067
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 18.62198966 Y= 15.64081956 Z= -26.59568460 Total= 36.03809339
Reference Point [Bohr] -0.08949301 -0.07534852 0.05278069
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.75372109 Y= 12.48071254 Z= 14.91178133 Total= 19.80454063
Reference Point [Bohr] -0.08845576 -0.07507444 0.05340524
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -1.04474489 Y= -18.95714473 Z= 17.74496539 Total= 25.98747053
Reference Point [Bohr] -0.08740228 -0.07478105 0.05405546
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 21.52922074 Y= 9.94519852 Z= 0.48873429 Total= 23.72031156
Reference Point [Bohr] -0.08633000 -0.07448222 0.22379024
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.86446683 Y= 6.01975858 Z= 4.73786387 Total= 22.22635425
Reference Point [Bohr] 0.08383393 -0.07418573 0.22445963
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 5.75075502 Y= -21.99489529 Z= -26.41434131 Total= 34.85059582
Reference Point [Bohr] 0.08495508 -0.07388980 0.05607139
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.03213829 Y= 6.79039202 Z= 23.49320836 Total= 33.59344664
Reference Point [Bohr] 0.08610953 -0.07358928 0.05677131
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -23.44658833 Y= -18.65157464 Z= -7.42768169 Total= 30.86736458
Reference Point [Bohr] 0.08729290 -0.07327551 0.05748075
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.42297357 Y= -16.16260476 Z= -9.00583941 Total= 29.07102819
Reference Point [Bohr] -0.08056955 -0.07294046 0.05819225
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 7.55265462 Y= -13.66960647 Z= 16.82184849 Total= 22.95376483
Reference Point [Bohr] -0.07932414 -0.07259289 0.05889582
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 13.50204414 Y= -12.02524095 Z= 20.41042564 Total= 27.26714306
Reference Point [Bohr] -0.07804919 -0.24132769 0.05958341
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 26.90324081 Y= -11.33353729 Z= -12.87759296 Total= 31.90714394
Reference Point [Bohr] -0.07676876 -0.24100048 0.06025528
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -10.41484567 Y= 17.21021079 Z= 10.62599723 Total= 22.75021281
Reference Point [Bohr] -0.07550423 -0.40974298 0.06092691
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -4.30766167 Y= 20.32021162 Z= 6.21907832 Total= 21.68280158
Reference Point [Bohr] -0.24333530 -0.40940773 0.06162300
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -3.60544456 Y= -1.25738967 Z= -19.26717772 Total= 19.64190409
Reference Point [Bohr] -0.24211427 -0.40907396 0.06236210
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.23666194 Y= 4.12616199 Z= 23.99007632 Total= 26.03583873
Reference Point [Bohr] -0.24090788 -0.40873162 0.06314789
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 9.56920058 Y= -21.18801363 Z= -0.99056520 Total= 23.26978171
Reference Point [Bohr] -0.23971231 -0.40836269 0.06396777
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -25.23123912 Y= -22.52798074 Z= 6.35009362 Total= 34.41582533
Reference Point [Bohr] -0.23853001 -0.40795914 0.23386701
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 24.23116435 Y= 27.04930846 Z= 16.04641429 Total= 39.70266774
Reference Point [Bohr] -0.23734937 -0.40753025 0.23466950
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -8.11376707 Y= -4.10332765 Z= 24.04806165 Total= 25.70952708
Reference Point [Bohr] -0.23615005 -0.40708498 0.06636547
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.36004244 Y= -2.73824175 Z= -26.41248657 Total= 30.67651086
Reference Point [Bohr] -0.23492511 -0.40662225 0.06710680
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.27677255 Y= -0.04829830 Z= 1.49304716 Total= 12.36732254
Reference Point [Bohr] -0.23368706 -0.40614610 0.06783074
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -17.81928583 Y= 26.36352869 Z= 24.14421555 Total= 39.94378221
Reference Point [Bohr] -0.23245062 -0.40567030 0.06854948
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.29185663 Y= -4.49651172 Z= -11.92538894 Total= 24.81484793
Reference Point [Bohr] -0.23122084 -0.23613175 0.06926236
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.44946784 Y= 20.06088889 Z= -16.41424491 Total= 28.75510300
Reference Point [Bohr] -0.23000020 -0.23568445 0.23903538
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.34543614 Y= -7.32894065 Z= 9.30380770 Total= 14.48863393
Reference Point [Bohr] -0.22878959 -0.23525205 0.23972268
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 6.79921566 Y= 26.02275753 Z= 9.12104262 Total= 28.40082149
Reference Point [Bohr] -0.22758732 -0.23481821 0.24040121
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.75007281 Y= 6.67643228 Z= -18.62622042 Total= 29.40368178
Reference Point [Bohr] -0.22638962 -0.23436799 0.07199766
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.53981629 Y= 10.66146334 Z= 8.35828243 Total= 25.44585176
Reference Point [Bohr] -0.22518685 -0.06481594 0.07265898
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 4.54283865 Y= 13.86771104 Z= -19.12242612 Total= 24.05447928
Reference Point [Bohr] -0.22398075 -0.06430094 -0.09575543
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -21.81811784 Y= -14.03479610 Z= 5.37409232 Total= 26.49314318
Reference Point [Bohr] -0.05372167 -0.06375761 -0.09508602
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 8.74895406 Y= 12.94391710 Z= 4.00134177 Total= 16.12761368
Reference Point [Bohr] -0.05257309 -0.06320042 -0.09439376
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.05883255 Y= -17.03456245 Z= 4.35472603 Total= 21.90143977
Reference Point [Bohr] -0.05145427 -0.06263587 -0.09367249
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 25.62093807 Y= -20.42304976 Z= 6.69663574 Total= 33.44216440
Reference Point [Bohr] -0.05035489 -0.06206569 -0.09292875
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 17.76869386 Y= 8.09609070 Z= -13.96697686 Total= 24.00728241
Reference Point [Bohr] -0.04927582 -0.06149192 -0.09217108
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -22.24710362 Y= 11.80403235 Z= -7.72389191 Total= 26.34249998
Reference Point [Bohr] -0.04821854 -0.06092010 -0.09140380
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -13.75645670 Y= -13.56017189 Z= -5.75375475 Total= 20.15500078
Reference Point [Bohr] -0.04718089 -0.06036436 -0.09063893
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.38952941 Y= 15.29427402 Z= 24.20140761 Total= 35.14762948
Reference Point [Bohr] -0.04616884 -0.05984471 -0.08989266
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -0.37495260 Y= -10.52327561 Z= -26.61416817 Total= 28.62156296
Reference Point [Bohr] -0.04519233 -0.22843335 -0.08916684
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -20.79588464 Y= -8.59926482 Z= -26.68558876 Total= 34.90754676
Reference Point [Bohr] -0.04424195 -0.22795272 0.08062612
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 12.57873304 Y= 20.81419228 Z= 7.70125117 Total= 25.51008417
Reference Point [Bohr] -0.04329004 -0.22745542 0.08134714
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -11.47177432 Y= -5.04292439 Z= -13.72364102 Total= 18.58416033
Reference Point [Bohr] -0.04232749 -0.22695125 0.08205906
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= -9.14420495 Y= 23.71043858 Z= -16.75989581 Total= 30.44167357
Reference Point [Bohr] -0.04137631 -0.22644863 0.08275505
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 20.53066364 Y= -2.66593909 Z= 8.23944882 Total= 22.28236741
Reference Point [Bohr] -0.04045604 -0.22593538 0.08344885
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 22.37164245 Y= -1.14082136 Z= -21.14560984 Total= 30.80468592
Reference Point [Bohr] -0.03956395 -0.22540442 -0.08492736
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= -0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 23.44754983 Y= 1.17811984 Z= -22.21304597 Total= 32.32019447
Reference Point [Bohr] -0.03868767 -0.22485630 -0.08424108
Charges
Electronic= 1024.00000000 Core= -1024.00000000 Total= 0.00000000
Dipole vectors are based on the periodic (Berry phase) operator.
They are defined modulo integer multiples of the cell matrix [Debye].
[X] [ 55.00697738 0.00000000 0.00000000 ] [i]
[Y]=[ 0.00000000 55.00697738 0.00000000 ]*[j]
[Z] [ 0.00000000 0.00000000 55.00697738 ] [k]
Dipole moment [Debye]
X= 15.63422196 Y= -25.25688248 Z= 5.15701792 Total= 30.14852970
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Fe.xyz
Type: chemical/x-xyz
Size: 6038 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230327/dd879c0f/attachment-0001.xyz>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Fe.inp
Type: chemical/x-gamess-input
Size: 4010 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230327/dd879c0f/attachment-0001.inp>
More information about the CP2K-user
mailing list