69 lines
6.6 KiB
Plaintext
69 lines
6.6 KiB
Plaintext
66
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 2.67148 -1.89380 4.09986 -0.0004 -0.0004 -0.0004 -2.5970
|
|
Ag 1.17689 4.89992 3.04955 0.0008 0.0008 0.0008 -2.3062
|
|
Ag -2.29704 -4.32006 -2.20839 -0.0045 -0.0045 -0.0045 -2.5167
|
|
Ag -4.01268 2.25938 -4.48623 -0.0017 -0.0017 -0.0017 -2.2710
|
|
Ag 2.22592 4.73277 0.52112 0.0006 0.0006 0.0006 -2.5225
|
|
Ag -1.15445 2.38466 -0.85816 0.0012 0.0012 0.0012 -2.8249
|
|
Ag -0.97793 0.83305 4.85929 -0.0002 -0.0002 -0.0002 -2.5641
|
|
Ag -3.90774 2.75467 -1.60762 0.0019 0.0019 0.0019 -2.5843
|
|
Ag 1.21627 3.09591 -3.84253 -0.0001 -0.0001 -0.0001 -2.5170
|
|
Ag 0.18413 0.00593 0.10038 0.0015 0.0015 0.0015 -2.9140
|
|
Ag 2.42765 -4.62887 0.78000 -0.0003 -0.0003 -0.0003 -2.3803
|
|
Ag -0.80411 4.59775 0.78668 -0.0010 -0.0010 -0.0010 -2.5321
|
|
Ag 0.97966 0.03911 3.08340 -0.0006 -0.0006 -0.0006 -2.8768
|
|
Ag 2.10460 -1.96668 1.30911 0.0006 0.0006 0.0006 -2.8725
|
|
Ag 1.69640 2.34496 -0.86983 0.0006 0.0006 0.0006 -2.8280
|
|
Ag -4.13882 -2.24296 -2.94801 0.0012 0.0012 0.0012 -2.5315
|
|
Ag 3.18592 1.14260 -2.81146 -0.0017 -0.0017 -0.0017 -2.6333
|
|
Ag 0.45615 2.31432 1.57583 -0.0007 -0.0007 -0.0007 -2.8915
|
|
Ag 0.42771 -3.37228 -3.36643 0.0016 0.0016 0.0016 -2.5671
|
|
Ag -1.12883 -1.54788 -2.19738 0.0012 0.0012 0.0012 -2.8023
|
|
Ag -1.58659 -4.54719 0.91191 0.0013 0.0013 0.0013 -2.4795
|
|
Ag -4.16148 -0.50647 1.96647 -0.0015 -0.0015 -0.0015 -2.5135
|
|
Ag -1.60512 0.54242 2.10116 0.0007 0.0007 0.0007 -2.7788
|
|
Ag 5.55049 1.65884 1.91094 -0.0000 -0.0000 -0.0000 -2.3303
|
|
Ag 2.79844 -3.77973 -1.76197 0.0026 0.0026 0.0026 -2.4762
|
|
Ag -2.49806 -2.10986 0.05119 0.0008 0.0008 0.0008 -2.8148
|
|
Ag 4.27098 2.85152 -0.26002 0.0016 0.0016 0.0016 -2.5031
|
|
Ag -0.65503 -1.14038 -5.04439 0.0004 0.0004 0.0004 -2.5836
|
|
Ag -4.45837 -4.00537 -0.63907 -0.0031 -0.0031 -0.0031 -2.2746
|
|
Ag -2.81441 0.56890 -0.24620 -0.0026 -0.0026 -0.0026 -2.7081
|
|
Ag -5.18967 -1.31372 -0.39607 -0.0020 -0.0020 -0.0020 -2.4848
|
|
Ag -2.30358 -3.26312 -4.67322 -0.0029 -0.0029 -0.0029 -2.3019
|
|
Ag -3.65569 1.39613 3.61154 -0.0000 -0.0000 -0.0000 -2.2737
|
|
Ag -3.33887 -0.65405 -5.12525 0.0010 0.0010 0.0010 -2.3320
|
|
Ag 0.30917 4.64095 -1.75597 0.0032 0.0032 0.0032 -2.5653
|
|
Ag 2.10822 -1.19878 -1.35919 0.0015 0.0015 0.0015 -2.8032
|
|
Ag 3.57555 0.83504 3.93980 0.0030 0.0030 0.0030 -2.5683
|
|
Ag 0.07414 -1.83916 4.98008 0.0005 0.0005 0.0005 -2.5381
|
|
Ag 0.33151 -3.17768 -0.40143 0.0016 0.0016 0.0016 -2.8405
|
|
Ag -3.72147 -3.29743 2.14349 -0.0016 -0.0016 -0.0016 -2.4354
|
|
Ag 2.19588 -1.27990 -4.05173 -0.0016 -0.0016 -0.0016 -2.5070
|
|
Ag -5.25254 1.49088 0.45075 0.0006 0.0006 0.0006 -2.3685
|
|
Ag 3.16521 4.27934 -2.22497 0.0012 0.0012 0.0012 -2.2805
|
|
Ag -1.77139 3.31652 -3.42794 0.0006 0.0006 0.0006 -2.5239
|
|
Ag 0.35840 0.64003 -2.95476 0.0025 0.0025 0.0025 -2.8979
|
|
Ag 4.49634 -1.74836 -2.50949 0.0012 0.0012 0.0012 -2.3147
|
|
Ag 1.59662 0.99828 -5.37432 0.0034 0.0034 0.0034 -2.2929
|
|
Ag -0.51470 -2.03591 2.11455 -0.0037 -0.0037 -0.0037 -2.8714
|
|
Ag -2.43784 0.61738 -3.09310 -0.0004 -0.0004 -0.0004 -2.7117
|
|
Ag 3.45851 3.36386 2.61436 -0.0003 -0.0003 -0.0003 -2.5294
|
|
Ag 1.65943 0.16482 5.83295 0.0014 0.0014 0.0014 -2.3393
|
|
Ag -2.48119 4.96854 -1.27821 -0.0018 -0.0018 -0.0018 -2.2698
|
|
Ag -1.52930 -4.09005 3.64377 0.0022 0.0022 0.0022 -2.3366
|
|
Ag 0.02859 -5.64995 -1.90473 -0.0009 -0.0009 -0.0009 -2.0835
|
|
Ag -1.05928 3.42321 3.72701 0.0020 0.0020 0.0020 -2.4423
|
|
Ag 1.19455 -4.00082 3.11638 -0.0016 -0.0016 -0.0016 -2.5162
|
|
Ag -5.04168 0.51063 -2.40420 0.0003 0.0003 0.0003 -2.4519
|
|
Ag -2.84505 2.95320 1.42178 -0.0004 -0.0004 -0.0004 -2.6415
|
|
Ag -1.08096 1.68958 -5.25040 -0.0024 -0.0024 -0.0024 -2.4369
|
|
Ag 1.48935 2.57851 4.49074 -0.0010 -0.0010 -0.0010 -2.5443
|
|
Ag 4.86811 0.13894 -0.48459 -0.0016 -0.0016 -0.0016 -2.5349
|
|
Ag 4.37864 -2.69397 0.03837 -0.0011 -0.0011 -0.0011 -2.5413
|
|
Ag -2.57464 -1.50537 3.90121 -0.0017 -0.0017 -0.0017 -2.5645
|
|
Ag 4.79819 -0.98314 2.27214 0.0018 0.0018 0.0018 -2.5525
|
|
Ag 2.96839 0.95267 1.28686 -0.0029 -0.0029 -0.0029 -2.8287
|
|
Ag 4.02217 -3.74110 2.57587 0.0013 0.0013 0.0013 -2.3045
|