[CP2K-user] Assistance and clarifications with NEGF Module
Nicholas Winner
nwi... at berkeley.edu
Tue Jul 20 22:24:58 UTC 2021
Hello everyone,
I am attempting to use the NEGF implementation in CP2K for transport
calculations. At present I have a monolayer between two aluminum [110]
contacts (details not too important as it is just a test case).
I have been using the examples provided online here
<https://github.com/schulkov/cp2k/blob/negf_samples/tests/QS/regtest-negf-fft/au111_c6h4s2_kpoints_0.50V.inp> from
Dr. Chulkov as my example and I have done very few modifications to
it--only the coordinates/lattice. I have comprised each electrode of 16 Al
layers, with with the bulk contact being 8 layers, the screening region
being 4, and the the remaining 4 being part of the scattering region. The
subsystems used for the electrodes are layers 5-8 (from outside in). This
is consistent with how Chulkov used atoms of moltype L2 and R2 in the
example for his example script. However, I continue to get the following
error:
*******************************************************************************
* ___
*
* / \
*
* [ABORT]
*
* \___/ One lattice vector of the contact unit cell (FORCE_EVAL section
1) *
* | must be parallel to the direction of the contact 1.
*
* O/|
*
* /| |
*
* / \
negf_env_types.F:258 *
*******************************************************************************
which confuses me. Looking at the source, I see that the direction_vector
is that between the atoms of the bulk and screening regions of the
electrode. Looking at my structure in VESTA, everything looks to be
parallel. Also by calculating the origin of L2+L3 and L1, and finding the
vector between them, I get [ 1.77635684e-15, -3.55271368e-15, 8.07786000].
So I'm wondering if maybe I misunderstand what needs to be parallel.
I'd like to know (a) how to fix this error, and (b) I'm also interested to
know why, in the example script, the two electrode subsystems (Force_eval 1
and 2), only contain molecules L2 and R2, rather than L2+L3 and R2+R3,
which would correspond to the whole bulk region of the contact.
If anyone has assistance (maybe Dr. Chulkov is on this mailing list), it
would be much appreciated. I've attached my input file, and the various
include files used with it, and also a cif file of my full structure.
Best,
Nick Winner
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210720/67521614/attachment.htm>
-------------- next part --------------
Al 7.663331 2.554444 1.472677 L3
Al 7.663331 8.940553 1.472677 L3
Al 8.940553 5.108887 1.472677 L3
Al 8.940553 11.494996 1.472677 L3
Al 7.663331 15.326662 1.472677 L3
Al 3.831665 1.277222 1.472677 L3
Al 8.940553 17.881105 1.472677 L3
Al 2.554444 5.108887 1.472677 L3
Al 5.108887 3.831665 1.472677 L3
Al 6.386109 0.0 1.472677 L3
Al 3.831665 7.663331 1.472677 L3
Al 6.386109 6.386109 1.472677 L3
Al 5.108887 10.217774 1.472677 L3
Al 3.831665 14.04944 1.472677 L3
Al 6.386109 12.772218 1.472677 L3
Al 8.940553 24.267214 1.472677 L3
Al 3.831665 20.435549 1.472677 L3
Al 5.108887 16.603884 1.472677 L3
Al 1.277222 2.554444 1.472677 L3
Al 5.108887 22.989993 1.472677 L3
Al 6.386109 19.158327 1.472677 L3
Al 3.831665 26.821658 1.472677 L3
Al 10.217774 1.277222 1.472677 L3
Al 6.386109 25.544436 1.472677 L3
Al 7.663331 21.712771 1.472677 L3
Al 12.772218 0.0 1.472677 L3
Al 11.494996 3.831665 1.472677 L3
Al 1.277222 8.940553 1.472677 L3
Al 1.277222 15.326662 1.472677 L3
Al 2.554444 11.494996 1.472677 L3
Al 2.554444 17.881105 1.472677 L3
Al 10.217774 7.663331 1.472677 L3
Al 11.494996 10.217774 1.472677 L3
Al 12.772218 6.386109 1.472677 L3
Al 1.277222 21.712771 1.472677 L3
Al 10.217774 14.04944 1.472677 L3
Al 12.772218 12.772218 1.472677 L3
Al 2.554444 24.267214 1.472677 L3
Al 10.217774 20.435549 1.472677 L3
Al 11.494996 16.603884 1.472677 L3
Al 11.494996 22.989993 1.472677 L3
Al 12.772218 19.158327 1.472677 L3
Al 12.772218 25.544436 1.472677 L3
Al 10.217774 26.821658 1.472677 L3
Al 1.915833 0.638611 3.492142 L3
Al 1.915833 7.02472 3.492142 L3
Al 4.470276 5.747498 3.492142 L3
Al 0.638611 4.470276 3.492142 L3
Al 3.193055 3.193055 3.492142 L3
Al 5.747498 1.915833 3.492142 L3
Al 10.856385 5.747498 3.492142 L3
Al 12.133607 1.915833 3.492142 L3
Al 1.915833 13.410829 3.492142 L3
Al 4.470276 12.133607 3.492142 L3
Al 7.02472 10.856385 3.492142 L3
Al 5.747498 8.301942 3.492142 L3
Al 9.579164 3.193055 3.492142 L3
Al 10.856385 12.133607 3.492142 L3
Al 8.301942 0.638611 3.492142 L3
Al 9.579164 15.965273 3.492142 L3
Al 0.638611 10.856385 3.492142 L3
Al 3.193055 9.579164 3.492142 L3
Al 7.02472 4.470276 3.492142 L3
Al 3.193055 22.351382 3.492142 L3
Al 4.470276 18.519716 3.492142 L3
Al 7.02472 17.242494 3.492142 L3
Al 9.579164 9.579164 3.492142 L3
Al 12.133607 8.301942 3.492142 L3
Al 5.747498 27.460269 3.492142 L3
Al 8.301942 7.02472 3.492142 L3
Al 9.579164 22.351382 3.492142 L3
Al 12.133607 21.07416 3.492142 L3
Al 1.915833 19.796938 3.492142 L3
Al 3.193055 15.965273 3.492142 L3
Al 5.747498 14.688051 3.492142 L3
Al 1.915833 26.183047 3.492142 L3
Al 10.856385 18.519716 3.492142 L3
Al 13.410829 17.242494 3.492142 L3
Al 12.133607 14.688051 3.492142 L3
Al 4.470276 24.905825 3.492142 L3
Al 7.02472 23.628604 3.492142 L3
Al 5.747498 21.07416 3.492142 L3
Al 12.133607 27.460269 3.492142 L3
Al 10.856385 24.905825 3.492142 L3
Al 13.410829 23.628604 3.492142 L3
Al 8.301942 19.796938 3.492142 L3
Al 8.301942 26.183047 3.492142 L3
Al 8.301942 13.410829 3.492142 L3
Al 1.277222 2.554444 5.511607 L3
Al 3.831665 1.277222 5.511607 L3
Al 8.940553 11.494996 5.511607 L3
Al 10.217774 7.663331 5.511607 L3
Al 12.772218 6.386109 5.511607 L3
Al 8.940553 5.108887 5.511607 L3
Al 11.494996 3.831665 5.511607 L3
Al 10.217774 1.277222 5.511607 L3
Al 12.772218 0.0 5.511607 L3
Al 2.554444 17.881105 5.511607 L3
Al 5.108887 16.603884 5.511607 L3
Al 1.277222 15.326662 5.511607 L3
Al 3.831665 14.04944 5.511607 L3
Al 2.554444 11.494996 5.511607 L3
Al 5.108887 10.217774 5.511607 L3
Al 11.494996 10.217774 5.511607 L3
Al 1.277222 8.940553 5.511607 L3
Al 3.831665 7.663331 5.511607 L3
Al 5.108887 3.831665 5.511607 L3
Al 3.831665 26.821658 5.511607 L3
Al 10.217774 26.821658 5.511607 L3
Al 11.494996 22.989993 5.511607 L3
Al 10.217774 20.435549 5.511607 L3
Al 12.772218 19.158327 5.511607 L3
Al 11.494996 16.603884 5.511607 L3
Al 5.108887 22.989993 5.511607 L3
Al 12.772218 25.544436 5.511607 L3
Al 2.554444 5.108887 5.511607 L3
Al 6.386109 0.0 5.511607 L3
Al 10.217774 14.04944 5.511607 L3
Al 12.772218 12.772218 5.511607 L3
Al 2.554444 24.267214 5.511607 L3
Al 1.277222 21.712771 5.511607 L3
Al 3.831665 20.435549 5.511607 L3
Al 6.386109 12.772218 5.511607 L3
Al 7.663331 8.940553 5.511607 L3
Al 6.386109 6.386109 5.511607 L3
Al 7.663331 2.554444 5.511607 L3
Al 6.386109 25.544436 5.511607 L3
Al 8.940553 24.267214 5.511607 L3
Al 7.663331 21.712771 5.511607 L3
Al 8.940553 17.881105 5.511607 L3
Al 6.386109 19.158327 5.511607 L3
Al 7.663331 15.326662 5.511607 L3
Al 0.638611 4.470276 7.531072 L3
Al 3.193055 3.193055 7.531072 L3
Al 1.915833 0.638611 7.531072 L3
Al 5.747498 14.688051 7.531072 L3
Al 4.470276 12.133607 7.531072 L3
Al 7.02472 10.856385 7.531072 L3
Al 9.579164 9.579164 7.531072 L3
Al 5.747498 8.301942 7.531072 L3
Al 8.301942 7.02472 7.531072 L3
Al 10.856385 5.747498 7.531072 L3
Al 4.470276 5.747498 7.531072 L3
Al 7.02472 4.470276 7.531072 L3
Al 9.579164 3.193055 7.531072 L3
Al 12.133607 1.915833 7.531072 L3
Al 8.301942 0.638611 7.531072 L3
Al 1.915833 19.796938 7.531072 L3
Al 3.193055 15.965273 7.531072 L3
Al 1.915833 13.410829 7.531072 L3
Al 8.301942 13.410829 7.531072 L3
Al 0.638611 10.856385 7.531072 L3
Al 3.193055 9.579164 7.531072 L3
Al 12.133607 8.301942 7.531072 L3
Al 1.915833 7.02472 7.531072 L3
Al 5.747498 27.460269 7.531072 L3
Al 8.301942 26.183047 7.531072 L3
Al 5.747498 1.915833 7.531072 L3
Al 1.915833 26.183047 7.531072 L3
Al 10.856385 24.905825 7.531072 L3
Al 7.02472 23.628604 7.531072 L3
Al 9.579164 22.351382 7.531072 L3
Al 12.133607 21.07416 7.531072 L3
Al 5.747498 21.07416 7.531072 L3
Al 8.301942 19.796938 7.531072 L3
Al 10.856385 18.519716 7.531072 L3
Al 13.410829 17.242494 7.531072 L3
Al 12.133607 14.688051 7.531072 L3
Al 13.410829 23.628604 7.531072 L3
Al 7.02472 17.242494 7.531072 L3
Al 9.579164 15.965273 7.531072 L3
Al 10.856385 12.133607 7.531072 L3
Al 3.193055 22.351382 7.531072 L3
Al 12.133607 27.460269 7.531072 L3
Al 4.470276 24.905825 7.531072 L3
Al 4.470276 18.519716 7.531072 L3
-------------- next part --------------
Al 3.831665 20.435549 17.628397 L1
Al 6.386109 19.158327 17.628397 L1
Al 2.554444 17.881105 17.628397 L1
Al 5.108887 16.603884 17.628397 L1
Al 8.940553 17.881105 17.628397 L1
Al 11.494996 16.603884 17.628397 L1
Al 1.277222 15.326662 17.628397 L1
Al 3.831665 14.04944 17.628397 L1
Al 6.386109 12.772218 17.628397 L1
Al 10.217774 14.04944 17.628397 L1
Al 12.772218 12.772218 17.628397 L1
Al 2.554444 11.494996 17.628397 L1
Al 5.108887 10.217774 17.628397 L1
Al 8.940553 11.494996 17.628397 L1
Al 11.494996 10.217774 17.628397 L1
Al 1.277222 8.940553 17.628397 L1
Al 3.831665 7.663331 17.628397 L1
Al 6.386109 6.386109 17.628397 L1
Al 10.217774 7.663331 17.628397 L1
Al 12.772218 6.386109 17.628397 L1
Al 2.554444 5.108887 17.628397 L1
Al 5.108887 3.831665 17.628397 L1
Al 8.940553 5.108887 17.628397 L1
Al 11.494996 3.831665 17.628397 L1
Al 1.277222 2.554444 17.628397 L1
Al 3.831665 1.277222 17.628397 L1
Al 6.386109 0.0 17.628397 L1
Al 10.217774 1.277222 17.628397 L1
Al 0.0 0.0 17.628397 L1
Al 2.554444 24.267214 17.628397 L1
Al 5.108887 22.989993 17.628397 L1
Al 1.277222 21.712771 17.628397 L1
Al 7.663331 15.326662 17.628397 L1
Al 7.663331 21.712771 17.628397 L1
Al 10.217774 20.435549 17.628397 L1
Al 12.772218 19.158327 17.628397 L1
Al 3.831665 26.821658 17.628397 L1
Al 6.386109 25.544436 17.628397 L1
Al 10.217774 26.821658 17.628397 L1
Al 12.772218 25.544436 17.628397 L1
Al 8.940553 24.267214 17.628397 L1
Al 11.494996 22.989993 17.628397 L1
Al 7.663331 8.940553 17.628397 L1
Al 7.663331 2.554444 17.628397 L1
Al 1.915833 19.796938 19.647862 L1
Al 4.470276 18.519716 19.647862 L1
Al 8.301942 19.796938 19.647862 L1
Al 10.856385 18.519716 19.647862 L1
Al 3.193055 15.965273 19.647862 L1
Al 7.02472 17.242494 19.647862 L1
Al 9.579164 15.965273 19.647862 L1
Al 12.133607 14.688051 19.647862 L1
Al 1.915833 13.410829 19.647862 L1
Al 4.470276 12.133607 19.647862 L1
Al 5.747498 14.688051 19.647862 L1
Al 8.301942 13.410829 19.647862 L1
Al 10.856385 12.133607 19.647862 L1
Al 0.638611 10.856385 19.647862 L1
Al 3.193055 9.579164 19.647862 L1
Al 7.02472 10.856385 19.647862 L1
Al 9.579164 9.579164 19.647862 L1
Al 12.133607 8.301942 19.647862 L1
Al 1.915833 7.02472 19.647862 L1
Al 4.470276 5.747498 19.647862 L1
Al 5.747498 8.301942 19.647862 L1
Al 8.301942 7.02472 19.647862 L1
Al 10.856385 5.747498 19.647862 L1
Al 0.638611 4.470276 19.647862 L1
Al 3.193055 3.193055 19.647862 L1
Al 7.02472 4.470276 19.647862 L1
Al 9.579164 3.193055 19.647862 L1
Al 12.133607 1.915833 19.647862 L1
Al 1.915833 0.638611 19.647862 L1
Al 5.747498 1.915833 19.647862 L1
Al 8.301942 0.638611 19.647862 L1
Al 1.915833 26.183047 19.647862 L1
Al 4.470276 24.905825 19.647862 L1
Al 3.193055 22.351382 19.647862 L1
Al 5.747498 21.07416 19.647862 L1
Al 12.133607 27.460269 19.647862 L1
Al 10.856385 24.905825 19.647862 L1
Al 13.410829 23.628604 19.647862 L1
Al 13.410829 17.242494 19.647862 L1
Al 5.747498 27.460269 19.647862 L1
Al 8.301942 26.183047 19.647862 L1
Al 7.02472 23.628604 19.647862 L1
Al 9.579164 22.351382 19.647862 L1
Al 12.133607 21.07416 19.647862 L1
Al 2.554444 17.881105 21.667327 L1
Al 8.940553 17.881105 21.667327 L1
Al 11.494996 16.603884 21.667327 L1
Al 1.277222 15.326662 21.667327 L1
Al 10.217774 14.04944 21.667327 L1
Al 12.772218 12.772218 21.667327 L1
Al 2.554444 11.494996 21.667327 L1
Al 8.940553 11.494996 21.667327 L1
Al 11.494996 10.217774 21.667327 L1
Al 1.277222 8.940553 21.667327 L1
Al 10.217774 7.663331 21.667327 L1
Al 12.772218 6.386109 21.667327 L1
Al 2.554444 5.108887 21.667327 L1
Al 8.940553 5.108887 21.667327 L1
Al 11.494996 3.831665 21.667327 L1
Al 1.277222 2.554444 21.667327 L1
Al 10.217774 1.277222 21.667327 L1
Al 0.0 0.0 21.667327 L1
Al 10.217774 26.821658 21.667327 L1
Al 12.772218 25.544436 21.667327 L1
Al 2.554444 24.267214 21.667327 L1
Al 1.277222 21.712771 21.667327 L1
Al 3.831665 20.435549 21.667327 L1
Al 6.386109 19.158327 21.667327 L1
Al 5.108887 16.603884 21.667327 L1
Al 7.663331 15.326662 21.667327 L1
Al 3.831665 14.04944 21.667327 L1
Al 6.386109 12.772218 21.667327 L1
Al 5.108887 10.217774 21.667327 L1
Al 7.663331 8.940553 21.667327 L1
Al 3.831665 7.663331 21.667327 L1
Al 6.386109 6.386109 21.667327 L1
Al 5.108887 3.831665 21.667327 L1
Al 7.663331 2.554444 21.667327 L1
Al 3.831665 1.277222 21.667327 L1
Al 6.386109 0.0 21.667327 L1
Al 5.108887 22.989993 21.667327 L1
Al 7.663331 21.712771 21.667327 L1
Al 12.772218 19.158327 21.667327 L1
Al 3.831665 26.821658 21.667327 L1
Al 8.940553 24.267214 21.667327 L1
Al 11.494996 22.989993 21.667327 L1
Al 10.217774 20.435549 21.667327 L1
Al 6.386109 25.544436 21.667327 L1
Al 10.856385 18.519716 23.686792 L1
Al 9.579164 15.965273 23.686792 L1
Al 12.133607 14.688051 23.686792 L1
Al 8.301942 13.410829 23.686792 L1
Al 10.856385 12.133607 23.686792 L1
Al 0.638611 10.856385 23.686792 L1
Al 9.579164 9.579164 23.686792 L1
Al 12.133607 8.301942 23.686792 L1
Al 8.301942 7.02472 23.686792 L1
Al 10.856385 5.747498 23.686792 L1
Al 0.638611 4.470276 23.686792 L1
Al 9.579164 3.193055 23.686792 L1
Al 12.133607 1.915833 23.686792 L1
Al 8.301942 0.638611 23.686792 L1
Al 1.915833 26.183047 23.686792 L1
Al 12.133607 27.460269 23.686792 L1
Al 10.856385 24.905825 23.686792 L1
Al 13.410829 23.628604 23.686792 L1
Al 13.410829 17.242494 23.686792 L1
Al 9.579164 22.351382 23.686792 L1
Al 12.133607 21.07416 23.686792 L1
Al 3.193055 22.351382 23.686792 L1
Al 1.915833 19.796938 23.686792 L1
Al 4.470276 18.519716 23.686792 L1
Al 7.02472 17.242494 23.686792 L1
Al 3.193055 15.965273 23.686792 L1
Al 5.747498 14.688051 23.686792 L1
Al 1.915833 13.410829 23.686792 L1
Al 4.470276 12.133607 23.686792 L1
Al 7.02472 10.856385 23.686792 L1
Al 3.193055 9.579164 23.686792 L1
Al 5.747498 8.301942 23.686792 L1
Al 1.915833 7.02472 23.686792 L1
Al 4.470276 5.747498 23.686792 L1
Al 7.02472 4.470276 23.686792 L1
Al 3.193055 3.193055 23.686792 L1
Al 5.747498 1.915833 23.686792 L1
Al 1.915833 0.638611 23.686792 L1
Al 4.470276 24.905825 23.686792 L1
Al 5.747498 21.07416 23.686792 L1
Al 8.301942 19.796938 23.686792 L1
Al 5.747498 27.460269 23.686792 L1
Al 8.301942 26.183047 23.686792 L1
Al 7.02472 23.628604 23.686792 L1
-------------- next part --------------
Al 3.831665 20.435549 55.539724 R2
Al 6.386109 19.158327 55.539724 R2
Al 10.217774 20.435549 55.539724 R2
Al 12.772218 19.158327 55.539724 R2
Al 2.554444 17.881105 55.539724 R2
Al 5.108887 16.603884 55.539724 R2
Al 8.940553 17.881105 55.539724 R2
Al 11.494996 16.603884 55.539724 R2
Al 1.277222 15.326662 55.539724 R2
Al 3.831665 14.04944 55.539724 R2
Al 6.386109 12.772218 55.539724 R2
Al 10.217774 14.04944 55.539724 R2
Al 12.772218 12.772218 55.539724 R2
Al 2.554444 11.494996 55.539724 R2
Al 5.108887 10.217774 55.539724 R2
Al 8.940553 11.494996 55.539724 R2
Al 11.494996 10.217774 55.539724 R2
Al 1.277222 8.940553 55.539724 R2
Al 3.831665 7.663331 55.539724 R2
Al 6.386109 6.386109 55.539724 R2
Al 10.217774 7.663331 55.539724 R2
Al 12.772218 6.386109 55.539724 R2
Al 2.554444 5.108887 55.539724 R2
Al 5.108887 3.831665 55.539724 R2
Al 8.940553 5.108887 55.539724 R2
Al 11.494996 3.831665 55.539724 R2
Al 1.277222 2.554444 55.539724 R2
Al 3.831665 1.277222 55.539724 R2
Al 6.386109 0.0 55.539724 R2
Al 10.217774 1.277222 55.539724 R2
Al 0.0 0.0 55.539724 R2
Al 3.831665 26.821658 55.539724 R2
Al 6.386109 25.544436 55.539724 R2
Al 10.217774 26.821658 55.539724 R2
Al 12.772218 25.544436 55.539724 R2
Al 2.554444 24.267214 55.539724 R2
Al 5.108887 22.989993 55.539724 R2
Al 8.940553 24.267214 55.539724 R2
Al 11.494996 22.989993 55.539724 R2
Al 1.277222 21.712771 55.539724 R2
Al 7.663331 15.326662 55.539724 R2
Al 7.663331 8.940553 55.539724 R2
Al 7.663331 2.554444 55.539724 R2
Al 7.663331 21.712771 55.539724 R2
Al 1.915833 19.796938 57.559189 R2
Al 4.470276 18.519716 57.559189 R2
Al 8.301942 19.796938 57.559189 R2
Al 10.856385 18.519716 57.559189 R2
Al 3.193055 15.965273 57.559189 R2
Al 7.02472 17.242494 57.559189 R2
Al 9.579164 15.965273 57.559189 R2
Al 12.133607 14.688051 57.559189 R2
Al 1.915833 13.410829 57.559189 R2
Al 4.470276 12.133607 57.559189 R2
Al 5.747498 14.688051 57.559189 R2
Al 8.301942 13.410829 57.559189 R2
Al 10.856385 12.133607 57.559189 R2
Al 0.638611 10.856385 57.559189 R2
Al 3.193055 9.579164 57.559189 R2
Al 7.02472 10.856385 57.559189 R2
Al 9.579164 9.579164 57.559189 R2
Al 12.133607 8.301942 57.559189 R2
Al 1.915833 7.02472 57.559189 R2
Al 4.470276 5.747498 57.559189 R2
Al 5.747498 8.301942 57.559189 R2
Al 8.301942 7.02472 57.559189 R2
Al 10.856385 5.747498 57.559189 R2
Al 0.638611 4.470276 57.559189 R2
Al 3.193055 3.193055 57.559189 R2
Al 7.02472 4.470276 57.559189 R2
Al 9.579164 3.193055 57.559189 R2
Al 12.133607 1.915833 57.559189 R2
Al 1.915833 0.638611 57.559189 R2
Al 5.747498 1.915833 57.559189 R2
Al 8.301942 0.638611 57.559189 R2
Al 1.915833 26.183047 57.559189 R2
Al 4.470276 24.905825 57.559189 R2
Al 3.193055 22.351382 57.559189 R2
Al 5.747498 21.07416 57.559189 R2
Al 13.410829 17.242494 57.559189 R2
Al 5.747498 27.460269 57.559189 R2
Al 12.133607 27.460269 57.559189 R2
Al 8.301942 26.183047 57.559189 R2
Al 10.856385 24.905825 57.559189 R2
Al 13.410829 23.628604 57.559189 R2
Al 7.02472 23.628604 57.559189 R2
Al 9.579164 22.351382 57.559189 R2
Al 12.133607 21.07416 57.559189 R2
Al 12.772218 19.158327 59.578654 R2
Al 2.554444 17.881105 59.578654 R2
Al 8.940553 17.881105 59.578654 R2
Al 11.494996 16.603884 59.578654 R2
Al 1.277222 15.326662 59.578654 R2
Al 10.217774 14.04944 59.578654 R2
Al 12.772218 12.772218 59.578654 R2
Al 2.554444 11.494996 59.578654 R2
Al 8.940553 11.494996 59.578654 R2
Al 11.494996 10.217774 59.578654 R2
Al 1.277222 8.940553 59.578654 R2
Al 10.217774 7.663331 59.578654 R2
Al 12.772218 6.386109 59.578654 R2
Al 2.554444 5.108887 59.578654 R2
Al 8.940553 5.108887 59.578654 R2
Al 11.494996 3.831665 59.578654 R2
Al 1.277222 2.554444 59.578654 R2
Al 10.217774 1.277222 59.578654 R2
Al 0.0 0.0 59.578654 R2
Al 3.831665 26.821658 59.578654 R2
Al 10.217774 26.821658 59.578654 R2
Al 12.772218 25.544436 59.578654 R2
Al 2.554444 24.267214 59.578654 R2
Al 8.940553 24.267214 59.578654 R2
Al 11.494996 22.989993 59.578654 R2
Al 1.277222 21.712771 59.578654 R2
Al 10.217774 20.435549 59.578654 R2
Al 3.831665 20.435549 59.578654 R2
Al 6.386109 19.158327 59.578654 R2
Al 5.108887 16.603884 59.578654 R2
Al 7.663331 15.326662 59.578654 R2
Al 3.831665 14.04944 59.578654 R2
Al 6.386109 12.772218 59.578654 R2
Al 5.108887 10.217774 59.578654 R2
Al 7.663331 8.940553 59.578654 R2
Al 3.831665 7.663331 59.578654 R2
Al 6.386109 6.386109 59.578654 R2
Al 5.108887 3.831665 59.578654 R2
Al 7.663331 2.554444 59.578654 R2
Al 3.831665 1.277222 59.578654 R2
Al 5.108887 22.989993 59.578654 R2
Al 7.663331 21.712771 59.578654 R2
Al 6.386109 0.0 59.578654 R2
Al 6.386109 25.544436 59.578654 R2
Al 10.856385 18.519716 61.598119 R2
Al 13.410829 17.242494 61.598119 R2
Al 9.579164 15.965273 61.598119 R2
Al 12.133607 14.688051 61.598119 R2
Al 8.301942 13.410829 61.598119 R2
Al 10.856385 12.133607 61.598119 R2
Al 0.638611 10.856385 61.598119 R2
Al 9.579164 9.579164 61.598119 R2
Al 12.133607 8.301942 61.598119 R2
Al 8.301942 7.02472 61.598119 R2
Al 10.856385 5.747498 61.598119 R2
Al 0.638611 4.470276 61.598119 R2
Al 9.579164 3.193055 61.598119 R2
Al 12.133607 1.915833 61.598119 R2
Al 8.301942 0.638611 61.598119 R2
Al 12.133607 27.460269 61.598119 R2
Al 1.915833 26.183047 61.598119 R2
Al 10.856385 24.905825 61.598119 R2
Al 13.410829 23.628604 61.598119 R2
Al 9.579164 22.351382 61.598119 R2
Al 12.133607 21.07416 61.598119 R2
Al 3.193055 22.351382 61.598119 R2
Al 1.915833 19.796938 61.598119 R2
Al 4.470276 18.519716 61.598119 R2
Al 7.02472 17.242494 61.598119 R2
Al 3.193055 15.965273 61.598119 R2
Al 5.747498 14.688051 61.598119 R2
Al 1.915833 13.410829 61.598119 R2
Al 4.470276 12.133607 61.598119 R2
Al 7.02472 10.856385 61.598119 R2
Al 3.193055 9.579164 61.598119 R2
Al 5.747498 8.301942 61.598119 R2
Al 1.915833 7.02472 61.598119 R2
Al 4.470276 5.747498 61.598119 R2
Al 7.02472 4.470276 61.598119 R2
Al 3.193055 3.193055 61.598119 R2
Al 5.747498 1.915833 61.598119 R2
Al 1.915833 0.638611 61.598119 R2
Al 4.470276 24.905825 61.598119 R2
Al 5.747498 21.07416 61.598119 R2
Al 8.301942 19.796938 61.598119 R2
Al 5.747498 27.460269 61.598119 R2
Al 8.301942 26.183047 61.598119 R2
Al 7.02472 23.628604 61.598119 R2
-------------- next part --------------
Al 1.277222 8.940553 47.461864 R1
Al 6.386109 6.386109 47.461864 R1
Al 8.940553 5.108887 47.461864 R1
Al 1.277222 2.554444 47.461864 R1
Al 5.108887 3.831665 47.461864 R1
Al 7.663331 2.554444 47.461864 R1
Al 10.217774 1.277222 47.461864 R1
Al 0.0 0.0 47.461864 R1
Al 6.386109 0.0 47.461864 R1
Al 5.108887 22.989993 47.461864 R1
Al 6.386109 19.158327 47.461864 R1
Al 8.940553 17.881105 47.461864 R1
Al 5.108887 16.603884 47.461864 R1
Al 7.663331 15.326662 47.461864 R1
Al 10.217774 14.04944 47.461864 R1
Al 12.772218 12.772218 47.461864 R1
Al 6.386109 12.772218 47.461864 R1
Al 8.940553 11.494996 47.461864 R1
Al 11.494996 10.217774 47.461864 R1
Al 5.108887 10.217774 47.461864 R1
Al 7.663331 8.940553 47.461864 R1
Al 10.217774 7.663331 47.461864 R1
Al 12.772218 6.386109 47.461864 R1
Al 11.494996 3.831665 47.461864 R1
Al 10.217774 26.821658 47.461864 R1
Al 12.772218 25.544436 47.461864 R1
Al 6.386109 25.544436 47.461864 R1
Al 8.940553 24.267214 47.461864 R1
Al 2.554444 24.267214 47.461864 R1
Al 11.494996 22.989993 47.461864 R1
Al 1.277222 21.712771 47.461864 R1
Al 7.663331 21.712771 47.461864 R1
Al 10.217774 20.435549 47.461864 R1
Al 12.772218 19.158327 47.461864 R1
Al 3.831665 20.435549 47.461864 R1
Al 11.494996 16.603884 47.461864 R1
Al 1.277222 15.326662 47.461864 R1
Al 2.554444 17.881105 47.461864 R1
Al 3.831665 14.04944 47.461864 R1
Al 2.554444 11.494996 47.461864 R1
Al 3.831665 7.663331 47.461864 R1
Al 2.554444 5.108887 47.461864 R1
Al 3.831665 1.277222 47.461864 R1
Al 3.831665 26.821658 47.461864 R1
Al 13.410829 23.628604 49.481329 R1
Al 3.193055 22.351382 49.481329 R1
Al 5.747498 21.07416 49.481329 R1
Al 8.301942 19.796938 49.481329 R1
Al 1.915833 19.796938 49.481329 R1
Al 4.470276 18.519716 49.481329 R1
Al 7.02472 17.242494 49.481329 R1
Al 9.579164 15.965273 49.481329 R1
Al 12.133607 14.688051 49.481329 R1
Al 13.410829 17.242494 49.481329 R1
Al 3.193055 15.965273 49.481329 R1
Al 5.747498 14.688051 49.481329 R1
Al 8.301942 13.410829 49.481329 R1
Al 10.856385 12.133607 49.481329 R1
Al 1.915833 13.410829 49.481329 R1
Al 4.470276 12.133607 49.481329 R1
Al 7.02472 10.856385 49.481329 R1
Al 9.579164 9.579164 49.481329 R1
Al 12.133607 8.301942 49.481329 R1
Al 0.638611 10.856385 49.481329 R1
Al 3.193055 9.579164 49.481329 R1
Al 5.747498 8.301942 49.481329 R1
Al 8.301942 7.02472 49.481329 R1
Al 10.856385 5.747498 49.481329 R1
Al 1.915833 7.02472 49.481329 R1
Al 4.470276 5.747498 49.481329 R1
Al 7.02472 4.470276 49.481329 R1
Al 9.579164 3.193055 49.481329 R1
Al 12.133607 1.915833 49.481329 R1
Al 0.638611 4.470276 49.481329 R1
Al 3.193055 3.193055 49.481329 R1
Al 5.747498 1.915833 49.481329 R1
Al 8.301942 0.638611 49.481329 R1
Al 12.133607 27.460269 49.481329 R1
Al 1.915833 0.638611 49.481329 R1
Al 5.747498 27.460269 49.481329 R1
Al 8.301942 26.183047 49.481329 R1
Al 10.856385 24.905825 49.481329 R1
Al 1.915833 26.183047 49.481329 R1
Al 4.470276 24.905825 49.481329 R1
Al 7.02472 23.628604 49.481329 R1
Al 9.579164 22.351382 49.481329 R1
Al 12.133607 21.07416 49.481329 R1
Al 10.856385 18.519716 49.481329 R1
Al 6.386109 19.158327 51.500794 R1
Al 8.940553 17.881105 51.500794 R1
Al 5.108887 16.603884 51.500794 R1
Al 7.663331 15.326662 51.500794 R1
Al 10.217774 14.04944 51.500794 R1
Al 6.386109 12.772218 51.500794 R1
Al 8.940553 11.494996 51.500794 R1
Al 5.108887 10.217774 51.500794 R1
Al 7.663331 8.940553 51.500794 R1
Al 10.217774 7.663331 51.500794 R1
Al 6.386109 6.386109 51.500794 R1
Al 8.940553 5.108887 51.500794 R1
Al 5.108887 3.831665 51.500794 R1
Al 7.663331 2.554444 51.500794 R1
Al 10.217774 1.277222 51.500794 R1
Al 6.386109 0.0 51.500794 R1
Al 10.217774 26.821658 51.500794 R1
Al 6.386109 25.544436 51.500794 R1
Al 8.940553 24.267214 51.500794 R1
Al 12.772218 25.544436 51.500794 R1
Al 2.554444 24.267214 51.500794 R1
Al 5.108887 22.989993 51.500794 R1
Al 11.494996 22.989993 51.500794 R1
Al 7.663331 21.712771 51.500794 R1
Al 10.217774 20.435549 51.500794 R1
Al 1.277222 21.712771 51.500794 R1
Al 3.831665 20.435549 51.500794 R1
Al 12.772218 19.158327 51.500794 R1
Al 2.554444 17.881105 51.500794 R1
Al 11.494996 16.603884 51.500794 R1
Al 1.277222 15.326662 51.500794 R1
Al 3.831665 14.04944 51.500794 R1
Al 12.772218 12.772218 51.500794 R1
Al 2.554444 11.494996 51.500794 R1
Al 11.494996 10.217774 51.500794 R1
Al 1.277222 8.940553 51.500794 R1
Al 3.831665 7.663331 51.500794 R1
Al 12.772218 6.386109 51.500794 R1
Al 2.554444 5.108887 51.500794 R1
Al 11.494996 3.831665 51.500794 R1
Al 1.277222 2.554444 51.500794 R1
Al 3.831665 1.277222 51.500794 R1
Al 0.0 0.0 51.500794 R1
Al 3.831665 26.821658 51.500794 R1
Al 5.747498 8.301942 53.520259 R1
Al 4.470276 5.747498 53.520259 R1
Al 7.02472 4.470276 53.520259 R1
Al 5.747498 1.915833 53.520259 R1
Al 8.301942 0.638611 53.520259 R1
Al 5.747498 21.07416 53.520259 R1
Al 8.301942 19.796938 53.520259 R1
Al 7.02472 17.242494 53.520259 R1
Al 5.747498 14.688051 53.520259 R1
Al 8.301942 13.410829 53.520259 R1
Al 4.470276 12.133607 53.520259 R1
Al 7.02472 10.856385 53.520259 R1
Al 8.301942 7.02472 53.520259 R1
Al 5.747498 27.460269 53.520259 R1
Al 8.301942 26.183047 53.520259 R1
Al 12.133607 27.460269 53.520259 R1
Al 7.02472 23.628604 53.520259 R1
Al 10.856385 24.905825 53.520259 R1
Al 13.410829 23.628604 53.520259 R1
Al 3.193055 22.351382 53.520259 R1
Al 9.579164 22.351382 53.520259 R1
Al 12.133607 21.07416 53.520259 R1
Al 1.915833 19.796938 53.520259 R1
Al 4.470276 18.519716 53.520259 R1
Al 10.856385 18.519716 53.520259 R1
Al 13.410829 17.242494 53.520259 R1
Al 3.193055 15.965273 53.520259 R1
Al 9.579164 15.965273 53.520259 R1
Al 12.133607 14.688051 53.520259 R1
Al 1.915833 13.410829 53.520259 R1
Al 10.856385 12.133607 53.520259 R1
Al 0.638611 10.856385 53.520259 R1
Al 3.193055 9.579164 53.520259 R1
Al 9.579164 9.579164 53.520259 R1
Al 12.133607 8.301942 53.520259 R1
Al 1.915833 7.02472 53.520259 R1
Al 10.856385 5.747498 53.520259 R1
Al 0.638611 4.470276 53.520259 R1
Al 3.193055 3.193055 53.520259 R1
Al 9.579164 3.193055 53.520259 R1
Al 12.133607 1.915833 53.520259 R1
Al 1.915833 0.638611 53.520259 R1
Al 1.915833 26.183047 53.520259 R1
Al 4.470276 24.905825 53.520259 R1
-------------- next part --------------
Al 8.940553 17.881105 25.706257 L0
Al 11.494996 16.603884 25.706257 L0
Al 10.217774 14.04944 25.706257 L0
Al 8.940553 11.494996 25.706257 L0
Al 11.494996 10.217774 25.706257 L0
Al 10.217774 7.663331 25.706257 L0
Al 8.940553 5.108887 25.706257 L0
Al 11.494996 3.831665 25.706257 L0
Al 10.217774 1.277222 25.706257 L0
Al 10.217774 26.821658 25.706257 L0
Al 12.772218 25.544436 25.706257 L0
Al 1.277222 21.712771 25.706257 L0
Al 3.831665 20.435549 25.706257 L0
Al 2.554444 17.881105 25.706257 L0
Al 5.108887 16.603884 25.706257 L0
Al 7.663331 15.326662 25.706257 L0
Al 1.277222 15.326662 25.706257 L0
Al 3.831665 14.04944 25.706257 L0
Al 6.386109 12.772218 25.706257 L0
Al 12.772218 12.772218 25.706257 L0
Al 2.554444 11.494996 25.706257 L0
Al 5.108887 10.217774 25.706257 L0
Al 7.663331 8.940553 25.706257 L0
Al 1.277222 8.940553 25.706257 L0
Al 3.831665 7.663331 25.706257 L0
Al 6.386109 6.386109 25.706257 L0
Al 12.772218 6.386109 25.706257 L0
Al 2.554444 5.108887 25.706257 L0
Al 5.108887 3.831665 25.706257 L0
Al 7.663331 2.554444 25.706257 L0
Al 1.277222 2.554444 25.706257 L0
Al 3.831665 1.277222 25.706257 L0
Al 6.386109 0.0 25.706257 L0
Al 0.0 0.0 25.706257 L0
Al 2.554444 24.267214 25.706257 L0
Al 5.108887 22.989993 25.706257 L0
Al 7.663331 21.712771 25.706257 L0
Al 6.386109 19.158327 25.706257 L0
Al 8.940553 24.267214 25.706257 L0
Al 11.494996 22.989993 25.706257 L0
Al 10.217774 20.435549 25.706257 L0
Al 12.772218 19.158327 25.706257 L0
Al 3.831665 26.821658 25.706257 L0
Al 6.386109 25.544436 25.706257 L0
Al 3.193055 22.351382 27.725722 L0
Al 1.915833 19.796938 27.725722 L0
Al 10.856385 18.519716 27.725722 L0
Al 7.02472 17.242494 27.725722 L0
Al 9.579164 15.965273 27.725722 L0
Al 3.193055 15.965273 27.725722 L0
Al 5.747498 14.688051 27.725722 L0
Al 8.301942 13.410829 27.725722 L0
Al 12.133607 14.688051 27.725722 L0
Al 1.915833 13.410829 27.725722 L0
Al 4.470276 12.133607 27.725722 L0
Al 7.02472 10.856385 27.725722 L0
Al 9.579164 9.579164 27.725722 L0
Al 10.856385 12.133607 27.725722 L0
Al 0.638611 10.856385 27.725722 L0
Al 3.193055 9.579164 27.725722 L0
Al 5.747498 8.301942 27.725722 L0
Al 8.301942 7.02472 27.725722 L0
Al 12.133607 8.301942 27.725722 L0
Al 1.915833 7.02472 27.725722 L0
Al 4.470276 5.747498 27.725722 L0
Al 7.02472 4.470276 27.725722 L0
Al 9.579164 3.193055 27.725722 L0
Al 10.856385 5.747498 27.725722 L0
Al 0.638611 4.470276 27.725722 L0
Al 3.193055 3.193055 27.725722 L0
Al 5.747498 1.915833 27.725722 L0
Al 8.301942 0.638611 27.725722 L0
Al 12.133607 1.915833 27.725722 L0
Al 1.915833 0.638611 27.725722 L0
Al 1.915833 26.183047 27.725722 L0
Al 4.470276 24.905825 27.725722 L0
Al 5.747498 21.07416 27.725722 L0
Al 8.301942 19.796938 27.725722 L0
Al 4.470276 18.519716 27.725722 L0
Al 13.410829 23.628604 27.725722 L0
Al 10.856385 24.905825 27.725722 L0
Al 12.133607 27.460269 27.725722 L0
Al 12.133607 21.07416 27.725722 L0
Al 13.410829 17.242494 27.725722 L0
Al 5.747498 27.460269 27.725722 L0
Al 8.301942 26.183047 27.725722 L0
Al 7.02472 23.628604 27.725722 L0
Al 9.579164 22.351382 27.725722 L0
Al 1.277222 21.712771 29.745187 L0
Al 3.831665 20.435549 29.745187 L0
Al 2.554444 17.881105 29.745187 L0
Al 8.940553 17.881105 29.745187 L0
Al 5.108887 16.603884 29.745187 L0
Al 7.663331 15.326662 29.745187 L0
Al 11.494996 16.603884 29.745187 L0
Al 1.277222 15.326662 29.745187 L0
Al 3.831665 14.04944 29.745187 L0
Al 6.386109 12.772218 29.745187 L0
Al 10.217774 14.04944 29.745187 L0
Al 12.772218 12.772218 29.745187 L0
Al 2.554444 11.494996 29.745187 L0
Al 5.108887 10.217774 29.745187 L0
Al 7.663331 8.940553 29.745187 L0
Al 8.940553 11.494996 29.745187 L0
Al 11.494996 10.217774 29.745187 L0
Al 1.277222 8.940553 29.745187 L0
Al 3.831665 7.663331 29.745187 L0
Al 6.386109 6.386109 29.745187 L0
Al 10.217774 7.663331 29.745187 L0
Al 12.772218 6.386109 29.745187 L0
Al 2.554444 5.108887 29.745187 L0
Al 5.108887 3.831665 29.745187 L0
Al 7.663331 2.554444 29.745187 L0
Al 8.940553 5.108887 29.745187 L0
Al 11.494996 3.831665 29.745187 L0
Al 1.277222 2.554444 29.745187 L0
Al 3.831665 1.277222 29.745187 L0
Al 6.386109 0.0 29.745187 L0
Al 10.217774 1.277222 29.745187 L0
Al 0.0 0.0 29.745187 L0
Al 2.554444 24.267214 29.745187 L0
Al 5.108887 22.989993 29.745187 L0
Al 7.663331 21.712771 29.745187 L0
Al 6.386109 19.158327 29.745187 L0
Al 8.940553 24.267214 29.745187 L0
Al 10.217774 26.821658 29.745187 L0
Al 12.772218 25.544436 29.745187 L0
Al 11.494996 22.989993 29.745187 L0
Al 10.217774 20.435549 29.745187 L0
Al 12.772218 19.158327 29.745187 L0
Al 3.831665 26.821658 29.745187 L0
Al 6.386109 25.544436 29.745187 L0
Al 8.301942 0.638611 31.764652 L0
Al 3.193055 22.351382 31.764652 L0
Al 1.915833 19.796938 31.764652 L0
Al 4.470276 18.519716 31.764652 L0
Al 8.301942 19.796938 31.764652 L0
Al 10.856385 18.519716 31.764652 L0
Al 7.02472 17.242494 31.764652 L0
Al 3.193055 15.965273 31.764652 L0
Al 5.747498 14.688051 31.764652 L0
Al 9.579164 15.965273 31.764652 L0
Al 12.133607 14.688051 31.764652 L0
Al 1.915833 13.410829 31.764652 L0
Al 4.470276 12.133607 31.764652 L0
Al 8.301942 13.410829 31.764652 L0
Al 10.856385 12.133607 31.764652 L0
Al 0.638611 10.856385 31.764652 L0
Al 3.193055 9.579164 31.764652 L0
Al 5.747498 8.301942 31.764652 L0
Al 7.02472 10.856385 31.764652 L0
Al 9.579164 9.579164 31.764652 L0
Al 12.133607 8.301942 31.764652 L0
Al 1.915833 7.02472 31.764652 L0
Al 4.470276 5.747498 31.764652 L0
Al 8.301942 7.02472 31.764652 L0
Al 10.856385 5.747498 31.764652 L0
Al 0.638611 4.470276 31.764652 L0
Al 3.193055 3.193055 31.764652 L0
Al 5.747498 1.915833 31.764652 L0
Al 7.02472 4.470276 31.764652 L0
Al 9.579164 3.193055 31.764652 L0
Al 12.133607 1.915833 31.764652 L0
Al 1.915833 0.638611 31.764652 L0
Al 1.915833 26.183047 31.764652 L0
Al 4.470276 24.905825 31.764652 L0
Al 5.747498 21.07416 31.764652 L0
Al 10.856385 24.905825 31.764652 L0
Al 13.410829 23.628604 31.764652 L0
Al 12.133607 27.460269 31.764652 L0
Al 8.301942 26.183047 31.764652 L0
Al 9.579164 22.351382 31.764652 L0
Al 12.133607 21.07416 31.764652 L0
Al 5.747498 27.460269 31.764652 L0
Al 7.02472 23.628604 31.764652 L0
Al 13.410829 17.242494 31.764652 L0
-------------- next part --------------
Al 8.940553 17.881105 63.617584 R3
Al 11.494996 16.603884 63.617584 R3
Al 10.217774 14.04944 63.617584 R3
Al 8.940553 11.494996 63.617584 R3
Al 11.494996 10.217774 63.617584 R3
Al 10.217774 7.663331 63.617584 R3
Al 8.940553 5.108887 63.617584 R3
Al 11.494996 3.831665 63.617584 R3
Al 10.217774 1.277222 63.617584 R3
Al 10.217774 26.821658 63.617584 R3
Al 12.772218 25.544436 63.617584 R3
Al 8.940553 24.267214 63.617584 R3
Al 11.494996 22.989993 63.617584 R3
Al 10.217774 20.435549 63.617584 R3
Al 1.277222 21.712771 63.617584 R3
Al 3.831665 20.435549 63.617584 R3
Al 2.554444 17.881105 63.617584 R3
Al 5.108887 16.603884 63.617584 R3
Al 7.663331 15.326662 63.617584 R3
Al 1.277222 15.326662 63.617584 R3
Al 3.831665 14.04944 63.617584 R3
Al 6.386109 12.772218 63.617584 R3
Al 12.772218 12.772218 63.617584 R3
Al 2.554444 11.494996 63.617584 R3
Al 5.108887 10.217774 63.617584 R3
Al 7.663331 8.940553 63.617584 R3
Al 1.277222 8.940553 63.617584 R3
Al 3.831665 7.663331 63.617584 R3
Al 6.386109 6.386109 63.617584 R3
Al 12.772218 6.386109 63.617584 R3
Al 2.554444 5.108887 63.617584 R3
Al 5.108887 3.831665 63.617584 R3
Al 7.663331 2.554444 63.617584 R3
Al 1.277222 2.554444 63.617584 R3
Al 3.831665 1.277222 63.617584 R3
Al 6.386109 0.0 63.617584 R3
Al 0.0 0.0 63.617584 R3
Al 2.554444 24.267214 63.617584 R3
Al 5.108887 22.989993 63.617584 R3
Al 7.663331 21.712771 63.617584 R3
Al 6.386109 19.158327 63.617584 R3
Al 12.772218 19.158327 63.617584 R3
Al 3.831665 26.821658 63.617584 R3
Al 6.386109 25.544436 63.617584 R3
Al 13.410829 23.628604 65.637049 R3
Al 3.193055 22.351382 65.637049 R3
Al 12.133607 21.07416 65.637049 R3
Al 1.915833 19.796938 65.637049 R3
Al 10.856385 18.519716 65.637049 R3
Al 7.02472 17.242494 65.637049 R3
Al 9.579164 15.965273 65.637049 R3
Al 13.410829 17.242494 65.637049 R3
Al 3.193055 15.965273 65.637049 R3
Al 5.747498 14.688051 65.637049 R3
Al 8.301942 13.410829 65.637049 R3
Al 12.133607 14.688051 65.637049 R3
Al 1.915833 13.410829 65.637049 R3
Al 4.470276 12.133607 65.637049 R3
Al 7.02472 10.856385 65.637049 R3
Al 9.579164 9.579164 65.637049 R3
Al 10.856385 12.133607 65.637049 R3
Al 0.638611 10.856385 65.637049 R3
Al 3.193055 9.579164 65.637049 R3
Al 5.747498 8.301942 65.637049 R3
Al 8.301942 7.02472 65.637049 R3
Al 12.133607 8.301942 65.637049 R3
Al 1.915833 7.02472 65.637049 R3
Al 4.470276 5.747498 65.637049 R3
Al 7.02472 4.470276 65.637049 R3
Al 9.579164 3.193055 65.637049 R3
Al 10.856385 5.747498 65.637049 R3
Al 0.638611 4.470276 65.637049 R3
Al 3.193055 3.193055 65.637049 R3
Al 5.747498 1.915833 65.637049 R3
Al 8.301942 0.638611 65.637049 R3
Al 12.133607 1.915833 65.637049 R3
Al 1.915833 0.638611 65.637049 R3
Al 5.747498 27.460269 65.637049 R3
Al 8.301942 26.183047 65.637049 R3
Al 10.856385 24.905825 65.637049 R3
Al 12.133607 27.460269 65.637049 R3
Al 1.915833 26.183047 65.637049 R3
Al 4.470276 24.905825 65.637049 R3
Al 7.02472 23.628604 65.637049 R3
Al 9.579164 22.351382 65.637049 R3
Al 5.747498 21.07416 65.637049 R3
Al 8.301942 19.796938 65.637049 R3
Al 4.470276 18.519716 65.637049 R3
Al 8.940553 24.267214 67.656514 R3
Al 10.217774 26.821658 67.656514 R3
Al 12.772218 25.544436 67.656514 R3
Al 11.494996 22.989993 67.656514 R3
Al 1.277222 21.712771 67.656514 R3
Al 3.831665 20.435549 67.656514 R3
Al 10.217774 20.435549 67.656514 R3
Al 12.772218 19.158327 67.656514 R3
Al 2.554444 17.881105 67.656514 R3
Al 8.940553 17.881105 67.656514 R3
Al 5.108887 16.603884 67.656514 R3
Al 7.663331 15.326662 67.656514 R3
Al 11.494996 16.603884 67.656514 R3
Al 1.277222 15.326662 67.656514 R3
Al 3.831665 14.04944 67.656514 R3
Al 6.386109 12.772218 67.656514 R3
Al 10.217774 14.04944 67.656514 R3
Al 12.772218 12.772218 67.656514 R3
Al 2.554444 11.494996 67.656514 R3
Al 5.108887 10.217774 67.656514 R3
Al 7.663331 8.940553 67.656514 R3
Al 8.940553 11.494996 67.656514 R3
Al 11.494996 10.217774 67.656514 R3
Al 1.277222 8.940553 67.656514 R3
Al 3.831665 7.663331 67.656514 R3
Al 6.386109 6.386109 67.656514 R3
Al 10.217774 7.663331 67.656514 R3
Al 12.772218 6.386109 67.656514 R3
Al 2.554444 5.108887 67.656514 R3
Al 5.108887 3.831665 67.656514 R3
Al 7.663331 2.554444 67.656514 R3
Al 8.940553 5.108887 67.656514 R3
Al 11.494996 3.831665 67.656514 R3
Al 1.277222 2.554444 67.656514 R3
Al 3.831665 1.277222 67.656514 R3
Al 6.386109 0.0 67.656514 R3
Al 10.217774 1.277222 67.656514 R3
Al 0.0 0.0 67.656514 R3
Al 3.831665 26.821658 67.656514 R3
Al 6.386109 25.544436 67.656514 R3
Al 2.554444 24.267214 67.656514 R3
Al 5.108887 22.989993 67.656514 R3
Al 7.663331 21.712771 67.656514 R3
Al 6.386109 19.158327 67.656514 R3
Al 8.301942 0.638611 69.675979 R3
Al 8.301942 26.183047 69.675979 R3
Al 10.856385 24.905825 69.675979 R3
Al 13.410829 23.628604 69.675979 R3
Al 3.193055 22.351382 69.675979 R3
Al 9.579164 22.351382 69.675979 R3
Al 12.133607 21.07416 69.675979 R3
Al 1.915833 19.796938 69.675979 R3
Al 4.470276 18.519716 69.675979 R3
Al 8.301942 19.796938 69.675979 R3
Al 10.856385 18.519716 69.675979 R3
Al 7.02472 17.242494 69.675979 R3
Al 3.193055 15.965273 69.675979 R3
Al 5.747498 14.688051 69.675979 R3
Al 9.579164 15.965273 69.675979 R3
Al 12.133607 14.688051 69.675979 R3
Al 1.915833 13.410829 69.675979 R3
Al 4.470276 12.133607 69.675979 R3
Al 8.301942 13.410829 69.675979 R3
Al 10.856385 12.133607 69.675979 R3
Al 0.638611 10.856385 69.675979 R3
Al 3.193055 9.579164 69.675979 R3
Al 5.747498 8.301942 69.675979 R3
Al 7.02472 10.856385 69.675979 R3
Al 9.579164 9.579164 69.675979 R3
Al 12.133607 8.301942 69.675979 R3
Al 1.915833 7.02472 69.675979 R3
Al 4.470276 5.747498 69.675979 R3
Al 8.301942 7.02472 69.675979 R3
Al 10.856385 5.747498 69.675979 R3
Al 0.638611 4.470276 69.675979 R3
Al 3.193055 3.193055 69.675979 R3
Al 5.747498 1.915833 69.675979 R3
Al 7.02472 4.470276 69.675979 R3
Al 9.579164 3.193055 69.675979 R3
Al 12.133607 1.915833 69.675979 R3
Al 1.915833 0.638611 69.675979 R3
Al 5.747498 27.460269 69.675979 R3
Al 12.133607 27.460269 69.675979 R3
Al 1.915833 26.183047 69.675979 R3
Al 4.470276 24.905825 69.675979 R3
Al 7.02472 23.628604 69.675979 R3
Al 5.747498 21.07416 69.675979 R3
Al 13.410829 17.242494 69.675979 R3
-------------- next part --------------
A non-text attachment was scrubbed...
Name: cp2k.inp
Type: chemical/x-gamess-input
Size: 8854 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210720/67521614/attachment.inp>
-------------- next part --------------
Al 7.663331 2.554444 39.384004 R0
Al 7.663331 8.940553 39.384004 R0
Al 8.940553 5.108887 39.384004 R0
Al 8.940553 11.494996 39.384004 R0
Al 3.831665 26.821658 39.384004 R0
Al 7.663331 15.326662 39.384004 R0
Al 3.831665 1.277222 39.384004 R0
Al 8.940553 17.881105 39.384004 R0
Al 2.554444 5.108887 39.384004 R0
Al 5.108887 3.831665 39.384004 R0
Al 6.386109 0.0 39.384004 R0
Al 3.831665 7.663331 39.384004 R0
Al 6.386109 6.386109 39.384004 R0
Al 8.940553 24.267214 39.384004 R0
Al 5.108887 10.217774 39.384004 R0
Al 10.217774 26.821658 39.384004 R0
Al 3.831665 14.04944 39.384004 R0
Al 6.386109 12.772218 39.384004 R0
Al 10.217774 1.277222 39.384004 R0
Al 12.772218 0.0 39.384004 R0
Al 3.831665 20.435549 39.384004 R0
Al 5.108887 16.603884 39.384004 R0
Al 10.217774 7.663331 39.384004 R0
Al 11.494996 3.831665 39.384004 R0
Al 1.277222 2.554444 39.384004 R0
Al 5.108887 22.989993 39.384004 R0
Al 6.386109 19.158327 39.384004 R0
Al 11.494996 10.217774 39.384004 R0
Al 12.772218 6.386109 39.384004 R0
Al 6.386109 25.544436 39.384004 R0
Al 7.663331 21.712771 39.384004 R0
Al 10.217774 14.04944 39.384004 R0
Al 12.772218 12.772218 39.384004 R0
Al 1.277222 8.940553 39.384004 R0
Al 11.494996 16.603884 39.384004 R0
Al 1.277222 15.326662 39.384004 R0
Al 2.554444 11.494996 39.384004 R0
Al 10.217774 20.435549 39.384004 R0
Al 12.772218 19.158327 39.384004 R0
Al 2.554444 17.881105 39.384004 R0
Al 11.494996 22.989993 39.384004 R0
Al 1.277222 21.712771 39.384004 R0
Al 12.772218 25.544436 39.384004 R0
Al 2.554444 24.267214 39.384004 R0
Al 10.856385 5.747498 41.403469 R0
Al 9.579164 3.193055 41.403469 R0
Al 12.133607 1.915833 41.403469 R0
Al 1.915833 0.638611 41.403469 R0
Al 12.133607 27.460269 41.403469 R0
Al 1.915833 26.183047 41.403469 R0
Al 10.856385 12.133607 41.403469 R0
Al 9.579164 9.579164 41.403469 R0
Al 12.133607 8.301942 41.403469 R0
Al 1.915833 7.02472 41.403469 R0
Al 4.470276 5.747498 41.403469 R0
Al 0.638611 4.470276 41.403469 R0
Al 3.193055 3.193055 41.403469 R0
Al 5.747498 1.915833 41.403469 R0
Al 5.747498 27.460269 41.403469 R0
Al 8.301942 0.638611 41.403469 R0
Al 8.301942 26.183047 41.403469 R0
Al 10.856385 18.519716 41.403469 R0
Al 13.410829 17.242494 41.403469 R0
Al 9.579164 15.965273 41.403469 R0
Al 12.133607 14.688051 41.403469 R0
Al 1.915833 13.410829 41.403469 R0
Al 4.470276 12.133607 41.403469 R0
Al 7.02472 10.856385 41.403469 R0
Al 0.638611 10.856385 41.403469 R0
Al 3.193055 9.579164 41.403469 R0
Al 5.747498 8.301942 41.403469 R0
Al 7.02472 4.470276 41.403469 R0
Al 8.301942 7.02472 41.403469 R0
Al 10.856385 24.905825 41.403469 R0
Al 13.410829 23.628604 41.403469 R0
Al 3.193055 22.351382 41.403469 R0
Al 9.579164 22.351382 41.403469 R0
Al 12.133607 21.07416 41.403469 R0
Al 1.915833 19.796938 41.403469 R0
Al 4.470276 18.519716 41.403469 R0
Al 7.02472 17.242494 41.403469 R0
Al 3.193055 15.965273 41.403469 R0
Al 5.747498 14.688051 41.403469 R0
Al 8.301942 13.410829 41.403469 R0
Al 4.470276 24.905825 41.403469 R0
Al 7.02472 23.628604 41.403469 R0
Al 5.747498 21.07416 41.403469 R0
Al 8.301942 19.796938 41.403469 R0
Al 8.940553 11.494996 43.422934 R0
Al 10.217774 7.663331 43.422934 R0
Al 12.772218 6.386109 43.422934 R0
Al 8.940553 5.108887 43.422934 R0
Al 11.494996 3.831665 43.422934 R0
Al 1.277222 2.554444 43.422934 R0
Al 3.831665 1.277222 43.422934 R0
Al 10.217774 1.277222 43.422934 R0
Al 12.772218 0.0 43.422934 R0
Al 3.831665 26.821658 43.422934 R0
Al 10.217774 26.821658 43.422934 R0
Al 11.494996 22.989993 43.422934 R0
Al 10.217774 20.435549 43.422934 R0
Al 12.772218 19.158327 43.422934 R0
Al 2.554444 17.881105 43.422934 R0
Al 5.108887 16.603884 43.422934 R0
Al 11.494996 16.603884 43.422934 R0
Al 1.277222 15.326662 43.422934 R0
Al 3.831665 14.04944 43.422934 R0
Al 10.217774 14.04944 43.422934 R0
Al 12.772218 12.772218 43.422934 R0
Al 2.554444 11.494996 43.422934 R0
Al 5.108887 10.217774 43.422934 R0
Al 11.494996 10.217774 43.422934 R0
Al 1.277222 8.940553 43.422934 R0
Al 3.831665 7.663331 43.422934 R0
Al 2.554444 5.108887 43.422934 R0
Al 5.108887 3.831665 43.422934 R0
Al 2.554444 24.267214 43.422934 R0
Al 5.108887 22.989993 43.422934 R0
Al 1.277222 21.712771 43.422934 R0
Al 3.831665 20.435549 43.422934 R0
Al 12.772218 25.544436 43.422934 R0
Al 6.386109 25.544436 43.422934 R0
Al 6.386109 12.772218 43.422934 R0
Al 7.663331 8.940553 43.422934 R0
Al 6.386109 6.386109 43.422934 R0
Al 7.663331 2.554444 43.422934 R0
Al 6.386109 0.0 43.422934 R0
Al 8.940553 24.267214 43.422934 R0
Al 7.663331 21.712771 43.422934 R0
Al 6.386109 19.158327 43.422934 R0
Al 8.940553 17.881105 43.422934 R0
Al 7.663331 15.326662 43.422934 R0
Al 5.747498 27.460269 45.442399 R0
Al 8.301942 26.183047 45.442399 R0
Al 5.747498 14.688051 45.442399 R0
Al 4.470276 12.133607 45.442399 R0
Al 7.02472 10.856385 45.442399 R0
Al 9.579164 9.579164 45.442399 R0
Al 5.747498 8.301942 45.442399 R0
Al 8.301942 7.02472 45.442399 R0
Al 10.856385 5.747498 45.442399 R0
Al 0.638611 4.470276 45.442399 R0
Al 3.193055 3.193055 45.442399 R0
Al 4.470276 5.747498 45.442399 R0
Al 7.02472 4.470276 45.442399 R0
Al 9.579164 3.193055 45.442399 R0
Al 12.133607 1.915833 45.442399 R0
Al 1.915833 0.638611 45.442399 R0
Al 5.747498 1.915833 45.442399 R0
Al 8.301942 0.638611 45.442399 R0
Al 12.133607 27.460269 45.442399 R0
Al 1.915833 26.183047 45.442399 R0
Al 10.856385 24.905825 45.442399 R0
Al 7.02472 23.628604 45.442399 R0
Al 9.579164 22.351382 45.442399 R0
Al 12.133607 21.07416 45.442399 R0
Al 1.915833 19.796938 45.442399 R0
Al 5.747498 21.07416 45.442399 R0
Al 8.301942 19.796938 45.442399 R0
Al 10.856385 18.519716 45.442399 R0
Al 13.410829 17.242494 45.442399 R0
Al 3.193055 15.965273 45.442399 R0
Al 7.02472 17.242494 45.442399 R0
Al 9.579164 15.965273 45.442399 R0
Al 12.133607 14.688051 45.442399 R0
Al 1.915833 13.410829 45.442399 R0
Al 8.301942 13.410829 45.442399 R0
Al 10.856385 12.133607 45.442399 R0
Al 0.638611 10.856385 45.442399 R0
Al 3.193055 9.579164 45.442399 R0
Al 12.133607 8.301942 45.442399 R0
Al 1.915833 7.02472 45.442399 R0
Al 4.470276 24.905825 45.442399 R0
Al 13.410829 23.628604 45.442399 R0
Al 3.193055 22.351382 45.442399 R0
Al 4.470276 18.519716 45.442399 R0
-------------- next part --------------
Al 1.277222 8.940553 9.550537 L2
Al 6.386109 6.386109 9.550537 L2
Al 8.940553 5.108887 9.550537 L2
Al 1.277222 2.554444 9.550537 L2
Al 5.108887 3.831665 9.550537 L2
Al 7.663331 2.554444 9.550537 L2
Al 10.217774 1.277222 9.550537 L2
Al 0.0 0.0 9.550537 L2
Al 6.386109 0.0 9.550537 L2
Al 5.108887 22.989993 9.550537 L2
Al 6.386109 19.158327 9.550537 L2
Al 8.940553 17.881105 9.550537 L2
Al 5.108887 16.603884 9.550537 L2
Al 7.663331 15.326662 9.550537 L2
Al 10.217774 14.04944 9.550537 L2
Al 12.772218 12.772218 9.550537 L2
Al 6.386109 12.772218 9.550537 L2
Al 8.940553 11.494996 9.550537 L2
Al 11.494996 10.217774 9.550537 L2
Al 10.217774 7.663331 9.550537 L2
Al 12.772218 6.386109 9.550537 L2
Al 10.217774 26.821658 9.550537 L2
Al 12.772218 25.544436 9.550537 L2
Al 6.386109 25.544436 9.550537 L2
Al 8.940553 24.267214 9.550537 L2
Al 11.494996 22.989993 9.550537 L2
Al 1.277222 21.712771 9.550537 L2
Al 7.663331 21.712771 9.550537 L2
Al 10.217774 20.435549 9.550537 L2
Al 12.772218 19.158327 9.550537 L2
Al 11.494996 16.603884 9.550537 L2
Al 2.554444 11.494996 9.550537 L2
Al 3.831665 7.663331 9.550537 L2
Al 2.554444 5.108887 9.550537 L2
Al 3.831665 1.277222 9.550537 L2
Al 5.108887 10.217774 9.550537 L2
Al 7.663331 8.940553 9.550537 L2
Al 11.494996 3.831665 9.550537 L2
Al 2.554444 24.267214 9.550537 L2
Al 3.831665 20.435549 9.550537 L2
Al 1.277222 15.326662 9.550537 L2
Al 2.554444 17.881105 9.550537 L2
Al 3.831665 14.04944 9.550537 L2
Al 3.831665 26.821658 9.550537 L2
Al 0.638611 10.856385 11.570002 L2
Al 3.193055 9.579164 11.570002 L2
Al 5.747498 8.301942 11.570002 L2
Al 1.915833 7.02472 11.570002 L2
Al 4.470276 5.747498 11.570002 L2
Al 7.02472 4.470276 11.570002 L2
Al 9.579164 3.193055 11.570002 L2
Al 12.133607 1.915833 11.570002 L2
Al 0.638611 4.470276 11.570002 L2
Al 3.193055 3.193055 11.570002 L2
Al 5.747498 1.915833 11.570002 L2
Al 8.301942 0.638611 11.570002 L2
Al 1.915833 0.638611 11.570002 L2
Al 13.410829 23.628604 11.570002 L2
Al 3.193055 22.351382 11.570002 L2
Al 5.747498 21.07416 11.570002 L2
Al 8.301942 19.796938 11.570002 L2
Al 1.915833 19.796938 11.570002 L2
Al 4.470276 18.519716 11.570002 L2
Al 7.02472 17.242494 11.570002 L2
Al 9.579164 15.965273 11.570002 L2
Al 12.133607 14.688051 11.570002 L2
Al 13.410829 17.242494 11.570002 L2
Al 3.193055 15.965273 11.570002 L2
Al 5.747498 14.688051 11.570002 L2
Al 8.301942 13.410829 11.570002 L2
Al 10.856385 12.133607 11.570002 L2
Al 7.02472 10.856385 11.570002 L2
Al 9.579164 9.579164 11.570002 L2
Al 12.133607 8.301942 11.570002 L2
Al 12.133607 27.460269 11.570002 L2
Al 5.747498 27.460269 11.570002 L2
Al 8.301942 26.183047 11.570002 L2
Al 10.856385 24.905825 11.570002 L2
Al 1.915833 26.183047 11.570002 L2
Al 4.470276 24.905825 11.570002 L2
Al 7.02472 23.628604 11.570002 L2
Al 9.579164 22.351382 11.570002 L2
Al 12.133607 21.07416 11.570002 L2
Al 10.856385 18.519716 11.570002 L2
Al 1.915833 13.410829 11.570002 L2
Al 4.470276 12.133607 11.570002 L2
Al 8.301942 7.02472 11.570002 L2
Al 10.856385 5.747498 11.570002 L2
Al 6.386109 6.386109 13.589467 L2
Al 8.940553 5.108887 13.589467 L2
Al 5.108887 3.831665 13.589467 L2
Al 7.663331 2.554444 13.589467 L2
Al 10.217774 1.277222 13.589467 L2
Al 6.386109 0.0 13.589467 L2
Al 6.386109 19.158327 13.589467 L2
Al 8.940553 17.881105 13.589467 L2
Al 5.108887 16.603884 13.589467 L2
Al 7.663331 15.326662 13.589467 L2
Al 10.217774 14.04944 13.589467 L2
Al 6.386109 12.772218 13.589467 L2
Al 8.940553 11.494996 13.589467 L2
Al 10.217774 7.663331 13.589467 L2
Al 10.217774 26.821658 13.589467 L2
Al 6.386109 25.544436 13.589467 L2
Al 8.940553 24.267214 13.589467 L2
Al 5.108887 22.989993 13.589467 L2
Al 7.663331 21.712771 13.589467 L2
Al 10.217774 20.435549 13.589467 L2
Al 2.554444 11.494996 13.589467 L2
Al 1.277222 8.940553 13.589467 L2
Al 3.831665 7.663331 13.589467 L2
Al 2.554444 5.108887 13.589467 L2
Al 1.277222 2.554444 13.589467 L2
Al 3.831665 1.277222 13.589467 L2
Al 0.0 0.0 13.589467 L2
Al 5.108887 10.217774 13.589467 L2
Al 7.663331 8.940553 13.589467 L2
Al 12.772218 25.544436 13.589467 L2
Al 2.554444 24.267214 13.589467 L2
Al 11.494996 22.989993 13.589467 L2
Al 1.277222 21.712771 13.589467 L2
Al 3.831665 20.435549 13.589467 L2
Al 12.772218 19.158327 13.589467 L2
Al 2.554444 17.881105 13.589467 L2
Al 11.494996 16.603884 13.589467 L2
Al 3.831665 14.04944 13.589467 L2
Al 12.772218 12.772218 13.589467 L2
Al 11.494996 10.217774 13.589467 L2
Al 12.772218 6.386109 13.589467 L2
Al 3.831665 26.821658 13.589467 L2
Al 1.277222 15.326662 13.589467 L2
Al 11.494996 3.831665 13.589467 L2
Al 5.747498 8.301942 15.608932 L2
Al 4.470276 5.747498 15.608932 L2
Al 7.02472 4.470276 15.608932 L2
Al 5.747498 1.915833 15.608932 L2
Al 8.301942 0.638611 15.608932 L2
Al 5.747498 21.07416 15.608932 L2
Al 8.301942 19.796938 15.608932 L2
Al 7.02472 17.242494 15.608932 L2
Al 5.747498 14.688051 15.608932 L2
Al 8.301942 13.410829 15.608932 L2
Al 7.02472 10.856385 15.608932 L2
Al 5.747498 27.460269 15.608932 L2
Al 8.301942 26.183047 15.608932 L2
Al 7.02472 23.628604 15.608932 L2
Al 0.638611 10.856385 15.608932 L2
Al 3.193055 9.579164 15.608932 L2
Al 1.915833 7.02472 15.608932 L2
Al 0.638611 4.470276 15.608932 L2
Al 3.193055 3.193055 15.608932 L2
Al 9.579164 3.193055 15.608932 L2
Al 12.133607 1.915833 15.608932 L2
Al 1.915833 0.638611 15.608932 L2
Al 4.470276 12.133607 15.608932 L2
Al 8.301942 7.02472 15.608932 L2
Al 12.133607 27.460269 15.608932 L2
Al 10.856385 24.905825 15.608932 L2
Al 13.410829 23.628604 15.608932 L2
Al 3.193055 22.351382 15.608932 L2
Al 9.579164 22.351382 15.608932 L2
Al 12.133607 21.07416 15.608932 L2
Al 1.915833 19.796938 15.608932 L2
Al 4.470276 18.519716 15.608932 L2
Al 10.856385 18.519716 15.608932 L2
Al 13.410829 17.242494 15.608932 L2
Al 3.193055 15.965273 15.608932 L2
Al 9.579164 15.965273 15.608932 L2
Al 12.133607 14.688051 15.608932 L2
Al 10.856385 12.133607 15.608932 L2
Al 9.579164 9.579164 15.608932 L2
Al 12.133607 8.301942 15.608932 L2
Al 1.915833 26.183047 15.608932 L2
Al 4.470276 24.905825 15.608932 L2
Al 1.915833 13.410829 15.608932 L2
Al 10.856385 5.747498 15.608932 L2
-------------- next part --------------
Te 1.960989 0.567653 33.764652 S
Te 4.399321 3.122096 33.764652 S
Te 3.393025 6.528021 33.764652 S
Te 2.386729 9.933946 33.764652 S
Te 7.84395 2.270615 33.764652 S
Te 6.837654 5.67654 33.764652 S
Te 5.831358 9.082465 33.764652 S
Te 4.825062 12.48839 33.764652 S
Te 3.818766 15.894314 33.764652 S
Te 2.81247 19.300239 33.764652 S
Te 11.288578 1.419134 33.764652 S
Te 10.282282 4.825059 33.764652 S
Te 9.275986 8.230984 33.764652 S
Te 8.26969 11.636908 33.764652 S
Te 7.263394 15.042833 33.764652 S
Te 6.257098 18.448758 33.764652 S
Te 5.250802 21.854683 33.764652 S
Te 4.244506 25.260608 33.764652 S
Te 0.954693 3.973578 33.764652 S
Te 12.720615 7.379502 33.764652 S
Te 11.714319 10.785427 33.764652 S
Te 10.708023 14.191352 33.764652 S
Te 9.701727 17.597277 33.764652 S
Te 8.695431 21.003202 33.764652 S
Te 7.689135 24.409127 33.764652 S
Te 6.682839 27.815051 33.764652 S
Te 1.380433 13.339871 33.764652 S
Te 13.146355 16.745796 33.764652 S
Te 12.140059 20.15172 33.764652 S
Te 11.133763 23.557645 33.764652 S
Te 10.127467 26.96357 33.764652 S
Te 1.806174 22.706164 33.764652 S
Te 13.572096 26.112089 33.764652 S
Mo 0.477344 1.986791 35.574328 S
Mo 2.915677 4.541235 35.574328 S
Mo 1.909381 7.947159 35.574328 S
Mo 0.903085 11.353084 35.574328 S
Mo 6.360305 3.689753 35.574328 S
Mo 5.354009 7.095678 35.574328 S
Mo 4.347713 10.501603 35.574328 S
Mo 3.341417 13.907528 35.574328 S
Mo 2.335121 17.313453 35.574328 S
Mo 1.328825 20.719377 35.574328 S
Mo 9.804934 2.838272 35.574328 S
Mo 8.798638 6.244197 35.574328 S
Mo 7.792342 9.650122 35.574328 S
Mo 6.786046 13.056047 35.574328 S
Mo 5.77975 16.461971 35.574328 S
Mo 4.773454 19.867896 35.574328 S
Mo 3.767158 23.273821 35.574328 S
Mo 2.760862 26.679746 35.574328 S
Mo 12.243266 5.392716 35.574328 S
Mo 11.23697 8.798641 35.574328 S
Mo 10.230674 12.204565 35.574328 S
Mo 9.224378 15.61049 35.574328 S
Mo 8.218082 19.016415 35.574328 S
Mo 7.211786 22.42234 35.574328 S
Mo 6.20549 25.828265 35.574328 S
Mo 3.921973 1.13531 35.574328 S
Mo 12.669007 14.759009 35.574328 S
Mo 11.662711 18.164934 35.574328 S
Mo 10.656415 21.570859 35.574328 S
Mo 9.650119 24.976784 35.574328 S
Mo 7.366601 0.283828 35.574328 S
Mo 13.094747 24.125302 35.574328 S
Mo 12.088451 27.531227 35.574328 S
Te 1.960989 0.567653 37.384004 S
Te 4.399321 3.122096 37.384004 S
Te 3.393025 6.528021 37.384004 S
Te 2.386729 9.933946 37.384004 S
Te 7.84395 2.270615 37.384004 S
Te 6.837654 5.67654 37.384004 S
Te 5.831358 9.082465 37.384004 S
Te 4.825062 12.48839 37.384004 S
Te 3.818766 15.894314 37.384004 S
Te 2.81247 19.300239 37.384004 S
Te 11.288578 1.419134 37.384004 S
Te 10.282282 4.825059 37.384004 S
Te 9.275986 8.230984 37.384004 S
Te 8.26969 11.636908 37.384004 S
Te 7.263394 15.042833 37.384004 S
Te 6.257098 18.448758 37.384004 S
Te 5.250802 21.854683 37.384004 S
Te 4.244506 25.260608 37.384004 S
Te 0.954693 3.973578 37.384004 S
Te 12.720615 7.379502 37.384004 S
Te 11.714319 10.785427 37.384004 S
Te 10.708023 14.191352 37.384004 S
Te 9.701727 17.597277 37.384004 S
Te 8.695431 21.003202 37.384004 S
Te 7.689135 24.409127 37.384004 S
Te 6.682839 27.815051 37.384004 S
Te 1.380433 13.339871 37.384004 S
Te 13.146355 16.745796 37.384004 S
Te 12.140059 20.15172 37.384004 S
Te 11.133763 23.557645 37.384004 S
Te 10.127467 26.96357 37.384004 S
Te 1.806174 22.706164 37.384004 S
Te 13.572096 26.112089 37.384004 S
More information about the CP2K-user
mailing list