77 lines
7.4 KiB
Plaintext
77 lines
7.4 KiB
Plaintext
74
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -43.58840 -38.46421 11.70733 0.0016 0.0016 0.0016 -2.9094
|
|
Ag -42.84979 -38.09589 9.01419 -0.0002 -0.0002 -0.0002 -2.9189
|
|
Ag -42.61040 -35.24961 9.53802 -0.0017 -0.0017 -0.0017 -2.8825
|
|
Ag -43.22026 -37.36270 14.41692 0.0026 0.0026 0.0026 -2.8690
|
|
Ag -45.18334 -39.49257 13.83349 0.0000 0.0000 0.0000 -2.9390
|
|
Ag -45.54739 -38.48649 8.54419 0.0001 0.0001 0.0001 -2.9208
|
|
Ag -40.85849 -36.92692 11.08145 -0.0013 -0.0013 -0.0013 -2.9492
|
|
Ag -45.75757 -41.58193 12.04620 -0.0004 -0.0004 -0.0004 -2.8671
|
|
Ag -42.96161 -35.46510 12.46950 -0.0004 -0.0004 -0.0004 -2.9392
|
|
Ag -43.63172 -40.21484 7.17720 0.0015 0.0015 0.0015 -2.6585
|
|
Ag -41.43015 -39.95636 10.57422 -0.0026 -0.0026 -0.0026 -2.8619
|
|
Ag -46.29634 -38.89343 11.28991 0.0003 0.0003 0.0003 -2.9267
|
|
Ag -45.64171 -36.78118 13.01695 -0.0015 -0.0015 -0.0015 -2.7799
|
|
Ag -42.21467 -37.74762 6.37868 0.0034 0.0034 0.0034 -2.4690
|
|
Ag -44.29093 -33.46153 11.01442 0.0012 0.0012 0.0012 -2.5943
|
|
Ag -40.68570 -37.85098 16.23623 -0.0001 -0.0001 -0.0001 -2.5006
|
|
Ag -42.25901 -42.51546 16.34880 0.0013 0.0013 0.0013 -2.3906
|
|
Ag -47.49186 -38.54929 5.40546 0.0005 0.0005 0.0005 -2.1298
|
|
Ag -39.85661 -34.53190 9.32592 -0.0016 -0.0016 -0.0016 -2.5072
|
|
Ag -42.19556 -42.22212 8.64595 -0.0004 -0.0004 -0.0004 -2.5369
|
|
Ag -40.57984 -33.38430 13.99320 0.0018 0.0018 0.0018 -2.2729
|
|
Ag -39.60348 -41.87550 9.16773 -0.0014 -0.0014 -0.0014 -2.2841
|
|
Ag -38.71969 -37.68848 12.54082 -0.0032 -0.0032 -0.0032 -2.5287
|
|
Ag -48.94943 -39.48790 10.56271 -0.0003 -0.0003 -0.0003 -2.4750
|
|
Ag -45.14978 -34.11731 13.77542 -0.0035 -0.0035 -0.0035 -2.5045
|
|
Ag -44.32797 -36.18780 7.54357 0.0050 0.0050 0.0050 -2.6898
|
|
Ag -40.86908 -39.82368 7.83985 0.0053 0.0053 0.0053 -2.5828
|
|
Ag -47.08285 -36.59386 7.13466 -0.0026 -0.0026 -0.0026 -2.4388
|
|
Ag -38.16217 -36.42865 10.17735 -0.0014 -0.0014 -0.0014 -2.3212
|
|
Ag -40.36396 -37.09181 8.18598 0.0002 0.0002 0.0002 -2.6318
|
|
Ag -39.25522 -40.73730 11.93398 0.0006 0.0006 0.0006 -2.5259
|
|
Ag -46.59314 -40.90606 6.43406 0.0035 0.0035 0.0035 -2.2504
|
|
Ag -39.04308 -38.94394 9.78795 0.0019 0.0019 0.0019 -2.5467
|
|
Ag -41.45817 -33.41383 11.26232 0.0020 0.0020 0.0020 -2.5994
|
|
Ag -42.53094 -43.63993 13.63694 0.0000 0.0000 0.0000 -2.4357
|
|
Ag -47.61778 -36.89085 9.84425 0.0025 0.0025 0.0025 -2.6619
|
|
Ag -46.84702 -40.92385 9.46003 -0.0001 -0.0001 -0.0001 -2.7463
|
|
Ag -48.54705 -37.39600 12.42796 -0.0001 -0.0001 -0.0001 -2.5450
|
|
Ag -47.07806 -34.82772 11.67527 -0.0006 -0.0006 -0.0006 -2.5240
|
|
Ag -47.38570 -42.81832 13.91891 -0.0014 -0.0014 -0.0014 -2.3466
|
|
Ag -44.59493 -42.07360 14.78328 -0.0027 -0.0027 -0.0027 -2.7499
|
|
Ag -44.19826 -40.64751 9.83361 -0.0036 -0.0036 -0.0036 -2.7878
|
|
Ag -43.77713 -43.34167 10.70441 0.0011 0.0011 0.0011 -2.6351
|
|
Ag -42.54137 -39.35350 17.93695 -0.0001 -0.0001 -0.0001 -2.3887
|
|
Ag -44.99264 -38.73698 16.47394 -0.0021 -0.0021 -0.0021 -2.6016
|
|
Ag -44.85536 -42.47672 8.32628 0.0031 0.0031 0.0031 -2.3993
|
|
Ag -48.31525 -42.04450 11.53793 0.0042 0.0042 0.0042 -2.3288
|
|
Ag -39.09755 -39.60541 14.50829 -0.0010 -0.0010 -0.0010 -2.3599
|
|
Ag -41.20206 -38.91247 13.13692 -0.0008 -0.0008 -0.0008 -2.8585
|
|
Ag -43.10134 -41.15997 12.53843 0.0009 0.0009 0.0009 -2.9304
|
|
Ag -48.10796 -40.17429 13.20398 0.0011 0.0011 0.0011 -2.5568
|
|
Ag -47.56194 -38.18748 14.83558 -0.0010 -0.0010 -0.0010 -2.5278
|
|
Ag -42.72040 -34.67962 15.22926 0.0015 0.0015 0.0015 -2.5454
|
|
Ag -41.03634 -42.64052 11.41691 0.0002 0.0002 0.0002 -2.5540
|
|
Ag -43.10697 -32.71431 13.25904 0.0004 0.0004 0.0004 -2.2793
|
|
Ag -45.67464 -36.33493 15.48847 0.0030 0.0030 0.0030 -2.4251
|
|
Ag -40.68697 -41.62092 14.17528 0.0001 0.0001 0.0001 -2.6298
|
|
Ag -44.86493 -38.16926 5.84934 0.0000 0.0000 0.0000 -2.4184
|
|
Ag -44.45865 -41.24356 17.41409 0.0023 0.0023 0.0023 -2.3587
|
|
Ag -42.66403 -39.94004 15.32236 0.0004 0.0004 0.0004 -2.9119
|
|
Ag -48.38364 -39.23329 7.81257 -0.0010 -0.0010 -0.0010 -2.4106
|
|
Ag -41.79031 -32.74210 8.50826 -0.0007 -0.0007 -0.0007 -2.2627
|
|
Ag -45.08707 -44.04445 13.01938 0.0021 0.0021 0.0021 -2.3839
|
|
Ag -43.14699 -36.82025 17.00977 0.0004 0.0004 0.0004 -2.3868
|
|
Ag -40.61370 -36.14199 14.05427 0.0013 0.0013 0.0013 -2.6883
|
|
Ag -46.70934 -40.61115 15.93035 0.0017 0.0017 0.0017 -2.4345
|
|
Ag -41.80516 -35.00544 6.93380 0.0007 0.0007 0.0007 -2.4452
|
|
Ag -40.41836 -40.65108 16.70933 -0.0039 -0.0039 -0.0039 -2.3735
|
|
Ag -39.23508 -34.82878 12.09136 0.0004 0.0004 0.0004 -2.4837
|
|
Ag -44.93956 -36.42543 10.36196 -0.0017 -0.0017 -0.0017 -2.8873
|
|
Ag -46.22728 -34.37694 9.12955 0.0014 0.0014 0.0014 -2.4210
|
|
Ag -47.77983 -35.37852 14.24238 0.0015 0.0015 0.0015 -2.3176
|
|
Ag -46.48071 -43.71296 10.31138 -0.0025 -0.0025 -0.0025 -2.3600
|
|
Ag -44.27252 -33.58356 7.61472 -0.0007 -0.0007 -0.0007 -2.2596
|