57 lines
5.4 KiB
Plaintext
57 lines
5.4 KiB
Plaintext
54
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 4.22430 0.26467 -3.46105 0.0023 0.0023 0.0023 -2.2834
|
|
Ag -2.38817 -3.36609 -3.15356 0.0016 0.0016 0.0016 -2.4895
|
|
Ag -1.65268 1.07637 4.23001 -0.0000 -0.0000 -0.0000 -2.5519
|
|
Ag -0.17558 -1.96819 1.70458 -0.0013 -0.0013 -0.0013 -2.8318
|
|
Ag -0.23810 1.83535 -2.20774 0.0010 0.0010 0.0010 -2.7565
|
|
Ag 3.22364 4.40191 0.46418 0.0002 0.0002 0.0002 -2.3365
|
|
Ag -4.10975 0.21113 3.47777 0.0002 0.0002 0.0002 -2.3030
|
|
Ag -2.09223 -1.74113 3.72058 0.0001 0.0001 0.0001 -2.5387
|
|
Ag 2.23691 0.30828 -1.66813 -0.0030 -0.0030 -0.0030 -2.8530
|
|
Ag -0.32951 -0.91457 -2.51784 0.0012 0.0012 0.0012 -2.8574
|
|
Ag 1.01511 2.09838 5.00917 -0.0009 -0.0009 -0.0009 -2.2817
|
|
Ag -4.60589 0.52154 0.60917 0.0000 0.0000 0.0000 -2.4922
|
|
Ag 1.11391 -4.33297 1.25264 0.0024 0.0024 0.0024 -2.5175
|
|
Ag 2.46918 -0.32175 1.08648 -0.0034 -0.0034 -0.0034 -2.7669
|
|
Ag -2.68499 0.27170 -1.29581 -0.0047 -0.0047 -0.0047 -2.8705
|
|
Ag 0.53775 1.20406 2.52002 -0.0004 -0.0004 -0.0004 -2.7843
|
|
Ag -1.81334 -2.21101 -0.53777 0.0019 0.0019 0.0019 -2.8340
|
|
Ag -1.91209 -4.14636 1.55409 -0.0015 -0.0015 -0.0015 -2.4993
|
|
Ag 2.26761 3.40098 2.89476 -0.0015 -0.0015 -0.0015 -2.5162
|
|
Ag 4.80704 -0.04203 -0.49051 0.0019 0.0019 0.0019 -2.5374
|
|
Ag -3.45334 -4.25445 -0.61824 -0.0005 -0.0005 -0.0005 -2.3125
|
|
Ag 0.11109 0.22615 0.07921 -0.0007 -0.0007 -0.0007 -2.6117
|
|
Ag -2.23821 4.87067 1.03262 0.0012 0.0012 0.0012 -2.2998
|
|
Ag -0.67050 -1.80583 -4.98329 0.0028 0.0028 0.0028 -2.3306
|
|
Ag 1.71245 4.02025 -1.81489 -0.0010 -0.0010 -0.0010 -2.4525
|
|
Ag 2.49377 -2.24270 3.09588 -0.0012 -0.0012 -0.0012 -2.5495
|
|
Ag 0.51683 -3.57468 -3.30219 -0.0003 -0.0003 -0.0003 -2.4605
|
|
Ag 3.59979 -2.04988 -2.12011 -0.0011 -0.0011 -0.0011 -2.4854
|
|
Ag -0.81769 -4.75627 -1.14074 0.0004 0.0004 0.0004 -2.4953
|
|
Ag -3.75362 2.79788 -0.76484 -0.0017 -0.0017 -0.0017 -2.5181
|
|
Ag 0.02301 -3.63587 3.79249 0.0017 0.0017 0.0017 -2.3021
|
|
Ag 4.07557 2.53272 -1.29345 0.0010 0.0010 0.0010 -2.5252
|
|
Ag -3.83871 -2.07533 1.37528 0.0034 0.0034 0.0034 -2.5586
|
|
Ag -3.34030 2.50729 2.12437 -0.0018 -0.0018 -0.0018 -2.5565
|
|
Ag 0.49918 4.69262 0.65375 -0.0041 -0.0041 -0.0041 -2.5414
|
|
Ag 3.57715 -2.95171 0.45276 0.0045 0.0045 0.0045 -2.4888
|
|
Ag -4.44152 -1.93534 -1.65104 -0.0018 -0.0018 -0.0018 -2.4770
|
|
Ag 1.30741 -2.20779 -0.57204 0.0008 0.0008 0.0008 -2.7915
|
|
Ag -2.74070 2.18590 -3.34010 0.0013 0.0013 0.0013 -2.4511
|
|
Ag 4.14885 1.79437 1.43317 0.0000 0.0000 0.0000 -2.5817
|
|
Ag -1.13729 2.53201 0.47151 0.0016 0.0016 0.0016 -2.8035
|
|
Ag -1.51431 4.20535 -1.63555 0.0014 0.0014 0.0014 -2.4115
|
|
Ag 2.87255 0.46675 3.59782 0.0018 0.0018 0.0018 -2.5345
|
|
Ag 2.20086 2.02428 -3.74384 0.0010 0.0010 0.0010 -2.4273
|
|
Ag -0.29579 0.98304 -4.59286 0.0034 0.0034 0.0034 -2.4150
|
|
Ag 4.83339 -1.04115 2.14147 -0.0014 -0.0014 -0.0014 -2.3187
|
|
Ag 0.50332 -0.83587 4.37985 0.0031 0.0031 0.0031 -2.5777
|
|
Ag -5.16178 0.44968 -2.71173 -0.0017 -0.0017 -0.0017 -2.1552
|
|
Ag -2.09888 0.09095 1.62764 -0.0026 -0.0026 -0.0026 -2.8497
|
|
Ag 1.80402 -1.02241 -4.25378 -0.0001 -0.0001 -0.0001 -2.5352
|
|
Ag -0.64963 3.57308 3.07303 0.0021 0.0021 0.0021 -2.5560
|
|
Ag 2.12648 -4.76932 -1.31582 -0.0003 -0.0003 -0.0003 -2.2727
|
|
Ag 1.70324 2.26596 0.22252 0.0055 0.0055 0.0055 -2.7442
|
|
Ag -2.79768 -0.55858 -3.83781 0.0021 0.0021 0.0021 -2.5672
|