97 lines
9.4 KiB
Plaintext
97 lines
9.4 KiB
Plaintext
94
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.01311 6.65528 -0.95215 -0.0050 -0.0050 -0.0050 -2.1651
|
|
Ag -7.78679 -0.78390 -1.81854 0.0049 0.0049 0.0049 -2.1806
|
|
Ag -3.85133 2.63374 1.00183 -0.0065 -0.0065 -0.0065 -2.2977
|
|
Ag 2.68309 0.26745 0.51804 -0.0000 -0.0000 -0.0000 -2.6524
|
|
Ag 5.17634 -0.47380 -3.59221 0.0000 0.0000 0.0000 -1.9074
|
|
Ag 2.68504 -4.44930 1.16745 -0.0074 -0.0074 -0.0074 -2.4553
|
|
Ag 5.49833 5.10513 -0.31642 -0.0039 -0.0039 -0.0039 -2.1629
|
|
Ag 1.47718 -1.91638 4.85605 -0.0057 -0.0057 -0.0057 -2.6806
|
|
Ag -1.06943 -1.43578 2.97695 0.0015 0.0015 0.0015 -2.7413
|
|
Ag 2.18882 -2.14790 7.67996 0.0013 0.0013 0.0013 -2.2353
|
|
Ag -2.07806 1.26104 -6.15719 0.0026 0.0026 0.0026 -2.5417
|
|
Ag 1.60145 3.09858 0.92767 -0.0006 -0.0006 -0.0006 -2.7102
|
|
Ag 3.29196 6.09039 0.79679 0.0002 0.0002 0.0002 -2.4253
|
|
Ag 0.78527 0.95440 2.24515 -0.0006 -0.0006 -0.0006 -2.2392
|
|
Ag -6.37111 1.37657 -0.34849 0.0054 0.0054 0.0054 -2.2441
|
|
Ag -1.20239 -2.53263 -7.06691 0.0008 0.0008 0.0008 -2.1267
|
|
Ag -1.18574 -5.78311 -1.67416 -0.0046 -0.0046 -0.0046 -2.3171
|
|
Ag -0.17054 -0.06610 -4.63639 0.0019 0.0019 0.0019 -2.7832
|
|
Ag -0.31022 -1.56762 6.79344 0.0014 0.0014 0.0014 -2.2522
|
|
Ag 1.33617 -4.92624 -1.52771 0.0026 0.0026 0.0026 -2.4957
|
|
Ag 4.76453 0.00492 2.86466 -0.0028 -0.0028 -0.0028 -2.5036
|
|
Ag -3.30301 -1.12801 -7.28710 -0.0032 -0.0032 -0.0032 -2.1328
|
|
Ag -0.18884 -3.85358 3.94050 0.0029 0.0029 0.0029 -2.6267
|
|
Ag 2.07536 0.90932 7.75415 0.0020 0.0020 0.0020 -1.8559
|
|
Ag -5.73995 1.76329 -2.86115 -0.0044 -0.0044 -0.0044 -2.2702
|
|
Ag 4.27389 0.12662 8.18117 0.0068 0.0068 0.0068 -1.8723
|
|
Ag -1.69031 -6.15880 1.14778 -0.0040 -0.0040 -0.0040 -2.4155
|
|
Ag -0.72865 -3.08920 -1.55414 -0.0032 -0.0032 -0.0032 -2.5996
|
|
Ag -1.97104 -2.36788 -4.23379 0.0011 0.0011 0.0011 -2.6812
|
|
Ag -4.61779 -3.00354 -5.74059 -0.0015 -0.0015 -0.0015 -2.1091
|
|
Ag -5.85762 -1.48998 -3.46893 0.0044 0.0044 0.0044 -2.4222
|
|
Ag -0.15403 3.17722 3.12649 0.0024 0.0024 0.0024 -2.3802
|
|
Ag -4.38341 -0.86483 4.15571 0.0007 0.0007 0.0007 -2.2889
|
|
Ag 5.67000 2.93169 1.20265 -0.0005 -0.0005 -0.0005 -2.4032
|
|
Ag -0.15906 -3.85625 0.91387 -0.0086 -0.0086 -0.0086 -2.7460
|
|
Ag 3.65954 -3.18753 3.46576 0.0021 0.0021 0.0021 -2.3957
|
|
Ag -4.60289 -0.32666 -1.37822 0.0063 0.0063 0.0063 -2.6727
|
|
Ag -1.02718 2.36727 -3.44718 -0.0015 -0.0015 -0.0015 -2.7561
|
|
Ag 1.00784 -1.45106 -2.74839 -0.0009 -0.0009 -0.0009 -2.6377
|
|
Ag 0.53287 4.44468 -4.31445 -0.0026 -0.0026 -0.0026 -2.3790
|
|
Ag 6.04397 1.42090 -2.14042 0.0081 0.0081 0.0081 -2.1631
|
|
Ag 4.19221 2.93109 -3.41584 0.0023 0.0023 0.0023 -2.4188
|
|
Ag -1.36286 4.19959 -5.83139 0.0038 0.0038 0.0038 -2.1678
|
|
Ag -6.76210 -3.41392 -1.68594 -0.0100 -0.0100 -0.0100 -2.2325
|
|
Ag 0.43750 2.17479 -6.07137 -0.0063 -0.0063 -0.0063 -2.5649
|
|
Ag 7.13088 0.85045 2.24166 0.0004 0.0004 0.0004 -1.8317
|
|
Ag 0.20291 -7.55975 -0.30726 0.0031 0.0031 0.0031 -1.9593
|
|
Ag -3.39805 2.13637 -1.94749 0.0022 0.0022 0.0022 -2.5770
|
|
Ag 4.08683 4.41262 2.79805 0.0025 0.0025 0.0025 -2.3496
|
|
Ag -6.50597 -1.31058 0.32132 -0.0006 -0.0006 -0.0006 -2.3801
|
|
Ag -2.02784 5.11655 -0.28237 -0.0018 -0.0018 -0.0018 -2.3069
|
|
Ag -2.41202 0.89038 2.30230 0.0030 0.0030 0.0030 -2.1394
|
|
Ag 0.42833 4.05220 -1.34976 -0.0006 -0.0006 -0.0006 -2.7561
|
|
Ag -3.98893 -3.34152 -2.71966 0.0011 0.0011 0.0011 -2.4896
|
|
Ag 2.44725 -3.76843 -3.63609 0.0008 0.0008 0.0008 -2.1544
|
|
Ag 1.54961 2.09351 -3.44781 -0.0010 -0.0010 -0.0010 -2.6701
|
|
Ag -4.36382 -1.99683 6.43296 0.0004 0.0004 0.0004 -1.8209
|
|
Ag 2.63283 0.48585 -5.17048 0.0007 0.0007 0.0007 -2.4786
|
|
Ag 2.90610 3.46567 -5.61683 -0.0012 -0.0012 -0.0012 -2.1779
|
|
Ag -4.55219 4.74491 -1.81389 -0.0047 -0.0047 -0.0047 -2.0007
|
|
Ag 0.14517 5.34144 1.25552 0.0005 0.0005 0.0005 -2.4845
|
|
Ag 4.57207 -2.03967 1.18074 0.0019 0.0019 0.0019 -2.3676
|
|
Ag 3.64042 3.05822 -0.75762 -0.0018 -0.0018 -0.0018 -2.6913
|
|
Ag -4.22519 -4.25312 -0.09751 0.0024 0.0024 0.0024 -2.3091
|
|
Ag -1.04495 -6.43055 4.16955 0.0039 0.0039 0.0039 -1.9292
|
|
Ag -4.43549 2.38161 -5.06631 0.0004 0.0004 0.0004 -2.1758
|
|
Ag -4.65506 1.56985 3.65772 -0.0006 -0.0006 -0.0006 -2.0388
|
|
Ag 0.39055 0.71402 4.81483 -0.0002 -0.0002 -0.0002 -2.5045
|
|
Ag -2.94593 -2.19054 -0.63764 -0.0043 -0.0043 -0.0043 -2.4254
|
|
Ag 2.09456 -2.18522 -0.43676 0.0044 0.0044 0.0044 -2.6018
|
|
Ag 0.80351 -6.10706 2.37582 -0.0085 -0.0085 -0.0085 -2.4003
|
|
Ag 1.21098 -2.42403 -5.67054 -0.0002 -0.0002 -0.0002 -2.3997
|
|
Ag 3.23370 5.50947 -1.85984 0.0017 0.0017 0.0017 -2.3378
|
|
Ag 0.57412 0.01620 -7.41279 -0.0019 -0.0019 -0.0019 -2.1838
|
|
Ag -2.20554 0.23541 5.32583 -0.0022 -0.0022 -0.0022 -2.4151
|
|
Ag 3.39334 0.61171 -1.90536 0.0009 0.0009 0.0009 -2.6137
|
|
Ag -1.84778 -0.04944 -2.28013 -0.0010 -0.0010 -0.0010 -2.6846
|
|
Ag 2.08712 5.99061 3.31802 -0.0049 -0.0049 -0.0049 -1.9452
|
|
Ag 0.52905 1.01919 -1.17719 0.0052 0.0052 0.0052 -2.7348
|
|
Ag -2.55242 4.58916 -3.43485 0.0040 0.0040 0.0040 -2.3286
|
|
Ag 5.54573 2.41556 3.95236 0.0022 0.0022 0.0022 -2.3075
|
|
Ag -3.77836 -0.86889 1.61183 -0.0035 -0.0035 -0.0035 -2.2287
|
|
Ag -2.71894 -3.62719 1.93784 0.0008 0.0008 0.0008 -2.6298
|
|
Ag -5.44422 -3.14979 1.98355 -0.0003 -0.0003 -0.0003 -2.2200
|
|
Ag 2.02895 -4.52537 5.10047 -0.0041 -0.0041 -0.0041 -2.1801
|
|
Ag -2.41601 -2.74069 4.86203 0.0012 0.0012 0.0012 -2.4304
|
|
Ag 4.55537 -1.96951 6.41579 0.0028 0.0028 0.0028 -2.1303
|
|
Ag 5.83098 0.58857 0.35626 0.0010 0.0010 0.0010 -2.0334
|
|
Ag -0.02720 -4.37449 -4.08595 0.0047 0.0047 0.0047 -2.3896
|
|
Ag 1.52250 -2.16197 2.17822 -0.0024 -0.0024 -0.0024 -2.6801
|
|
Ag 2.72904 1.79093 3.22491 -0.0046 -0.0046 -0.0046 -2.3942
|
|
Ag 3.63699 0.19187 5.29634 0.0009 0.0009 0.0009 -2.4942
|
|
Ag -1.12410 2.60183 0.49547 -0.0018 -0.0018 -0.0018 -2.7057
|
|
Ag -3.95607 -0.31654 -4.83930 0.0048 0.0048 0.0048 -2.5516
|