100
Lattice="31.7900009155 0.0 0.0 0.0 31.0900001526 0.0 0.0 0.0 30.3899993896" Properties=species:S:1:pos:R:3 i=164 E=-3254.0001195015 pbc="F F F"
I       12.53380463      12.25914959       8.75509930
I       18.69367596      12.71629270       8.80781619
I       12.07974818      18.47324032       8.92583149
I       19.15849918      18.09564298       8.72134563
I       11.97464030       9.14761207      12.22456652
I       19.27068764       9.24025331      11.94381566
I        9.22108778      12.61068536      11.94447449
I       12.29698759      12.41778895      15.11728875
I       12.57795631      15.41673429      12.11792220
I       15.46649515      11.84866049      11.97536098
I       18.56381750      12.19537890      15.14352264
I       18.13901403      15.49549365      12.25555563
I       22.01892728      12.95392236      11.84231611
I        9.07397445      18.51795996      12.21388535
I       12.37063039      18.39939431      15.16514874
I       12.07307344      21.99089631      12.05951313
I       15.47546378      18.74416091      11.83596955
I       18.88681864      18.70459118      15.08224982
I       19.21663091      22.17036747      11.82855880
I       21.69582919      18.25662047      11.20632517
I       12.41184722       8.97705996      18.14313905
I       17.74265160       8.89473008      18.22100594
I        9.29571468      12.39146095      18.19975445
I       12.42940936      12.08833158      21.41230178
I       12.85236337      15.21534084      18.38788281
I       15.65777918      11.93324268      18.21343465
I       19.14293238      12.39614127      21.57419869
I       18.61131707      15.40207732      18.38235760
I       22.38425659      12.77031476      18.12193907
I        9.40952188      18.41361005      18.26031963
I       12.53199521      18.55233390      21.23277039
I       11.92683793      22.56768368      18.01224852
I       15.57825527      18.68256836      18.06794190
I       18.86465211      18.18667164      21.60589041
I       18.28326434      22.11104017      18.64354796
I       21.96593023      18.81383368      18.32632302
Pb      12.32581728      12.15779206      11.77583729
Pb      19.03840937      12.43532159      11.84527204
Pb      12.10434040      18.76392343      11.93090122
Pb      18.61031419      19.01535938      11.93041972
Pb      12.44904786      12.07011600      18.32532163
Pb      19.34495379      12.41513442      18.48827542
Pb      12.36081778      19.33687003      18.27119405
Pb      18.88733546      18.93806549      18.65811713
C       15.02119288      15.45224888       8.55007328
C       15.06419771       8.64157219      14.56117206
C        8.94950524      15.22659523      15.00700993
C       15.22019124      15.22804242      14.95874212
C       21.46545127      15.34652973      14.95645190
C       15.20757929      21.26269348      14.98929721
C       15.49674589      15.22797353      21.23867371
N       16.45365331      15.44301129       9.18176759
N       16.59477022       8.57161947      14.92750631
N       10.39021980      15.34277079      15.62196008
N       16.68311559      15.22409750      15.51080230
N       22.95669749      15.46392754      15.39258368
N       16.68525700      21.27024904      15.50885013
N       16.77273010      15.28537781      22.15315403
H       15.13964177      15.40522125       7.49428685
H       14.53141603      16.35244026       8.83908987
H       14.49515621      14.60583589       8.91901673
H       17.02458478      16.24861468       8.84994048
H       16.97263647      14.55971835       8.94066193
H       16.41714953      15.50033767      10.22363072
H       14.99727659       8.63192075      13.49867906
H       14.65395338       9.53832120      14.96034008
H       14.58797908       7.78580336      14.97713849
H       17.06873418       9.43439498      14.59198563
H       17.01840974       7.73174108      14.45940470
H       16.72275386       8.51242233      15.96860907
H        9.02541231      15.25719030      13.94684201
H        8.34233858      16.03322133      15.35020590
H        8.52471689      14.30489759      15.31413177
H       10.85572909      16.22708151      15.30054991
H       10.96398636      14.50740378      15.34059649
H       10.32175210      15.36991439      16.65783840
H       15.27772827      15.15894931      13.89939377
H       14.75045979      16.13471140      15.25569844
H       14.71696450      14.38563360      15.36447072
H       17.25249702      15.95646152      15.04002676
H       17.14754753      14.30050997      15.32223395
H       16.72230820      15.38854680      16.53891190
H       21.45652973      15.17609623      13.90907003
H       20.99411765      16.27625269      15.16534340
H       20.98618557      14.55395422      15.46427218
H       23.52202927      16.19696654      14.72762102
H       23.39521380      14.52205501      15.35092213
H       23.01176719      15.77189402      16.35987526
H       15.23419314      21.10255476      13.93828474
H       14.74892269      22.18747854      15.23935922
H       14.71109771      20.45144652      15.46672636
H       17.25370825      21.98183212      15.02142679
H       17.16395181      20.33748856      15.34263689
H       16.75156409      21.45244633      16.54093689
H       15.83721160      15.07744764      20.23636687
H       14.96830154      16.14477678      21.34127135
H       14.90489792      14.40252001      21.55359672
H       17.41805713      16.03605699      21.81503925
H       17.28553690      14.37582641      22.14410504
H       16.48632098      15.56191301      23.13620436
