40 lines
3.7 KiB
Plaintext
40 lines
3.7 KiB
Plaintext
37
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.12459 2.27062 -2.74947 -0.0018 -0.0018 -0.0018 -2.3937
|
|
Ag 3.46163 0.00561 1.85123 0.0000 0.0000 0.0000 -2.3378
|
|
Ag -1.14701 -0.98513 1.31815 -0.0020 -0.0020 -0.0020 -2.7630
|
|
Ag 0.96807 0.81901 2.84264 -0.0002 -0.0002 -0.0002 -2.5813
|
|
Ag 0.37766 -2.38669 -0.38777 0.0014 0.0014 0.0014 -2.8588
|
|
Ag 0.21437 -0.88363 -2.72806 -0.0015 -0.0015 -0.0015 -2.5704
|
|
Ag 2.51128 2.73296 1.51168 0.0034 0.0034 0.0034 -2.3794
|
|
Ag -3.68610 -1.10506 0.31151 -0.0019 -0.0019 -0.0019 -2.4133
|
|
Ag 2.95849 -2.44490 0.59353 0.0003 0.0003 0.0003 -2.4825
|
|
Ag -2.98058 0.94487 2.41823 0.0022 0.0022 0.0022 -2.5402
|
|
Ag -1.26534 -0.56874 3.86971 -0.0018 -0.0018 -0.0018 -2.4437
|
|
Ag 3.95014 -0.51781 -0.93313 -0.0019 -0.0019 -0.0019 -2.3714
|
|
Ag 2.11019 3.04831 -3.43877 -0.0019 -0.0019 -0.0019 -2.3083
|
|
Ag 0.17660 -3.70812 -2.91308 -0.0022 -0.0022 -0.0022 -2.3073
|
|
Ag 2.45556 0.38705 -2.99498 -0.0037 -0.0037 -0.0037 -2.4773
|
|
Ag 1.43114 0.02454 0.07171 0.0015 0.0015 0.0015 -2.8962
|
|
Ag 1.99795 -4.64851 -0.77170 0.0023 0.0023 0.0023 -2.3467
|
|
Ag -2.12102 -2.69746 -1.69937 0.0029 0.0029 0.0029 -2.4538
|
|
Ag 1.04838 -1.91807 2.37158 0.0017 0.0017 0.0017 -2.5766
|
|
Ag -0.08677 1.36431 -4.28025 0.0027 0.0027 0.0027 -2.3001
|
|
Ag -2.67079 3.67118 1.84293 -0.0006 -0.0006 -0.0006 -2.3059
|
|
Ag -1.71941 0.02478 -1.18476 0.0004 0.0004 0.0004 -2.6826
|
|
Ag -1.39973 3.87213 -0.62897 -0.0009 -0.0009 -0.0009 -2.5288
|
|
Ag -0.73895 1.70271 0.92401 0.0016 0.0016 0.0016 -2.8619
|
|
Ag -2.32934 -3.52985 0.91615 0.0019 0.0019 0.0019 -2.5353
|
|
Ag 0.40317 1.84941 -1.65350 0.0016 0.0016 0.0016 -2.8606
|
|
Ag -3.52834 -1.94612 2.81028 0.0006 0.0006 0.0006 -2.3107
|
|
Ag 0.33197 4.22418 2.00579 0.0004 0.0004 0.0004 -2.2922
|
|
Ag -1.19889 -3.26175 3.25750 -0.0014 -0.0014 -0.0014 -2.3439
|
|
Ag 0.39818 -4.44183 1.43393 -0.0011 -0.0011 -0.0011 -2.4313
|
|
Ag 3.36490 2.28817 -0.98204 -0.0007 -0.0007 -0.0007 -2.4260
|
|
Ag -3.26912 2.02802 -0.14123 -0.0014 -0.0014 -0.0014 -2.4436
|
|
Ag -1.16728 2.33175 3.57720 -0.0021 -0.0021 -0.0021 -2.3467
|
|
Ag 1.47336 4.29249 -0.64681 -0.0025 -0.0025 -0.0025 -2.4477
|
|
Ag -0.85909 -5.09044 -0.88518 -0.0015 -0.0015 -0.0015 -2.3303
|
|
Ag -0.17477 4.26489 -2.98197 -0.0017 -0.0017 -0.0017 -2.2940
|
|
Ag 2.37562 -2.47137 -2.38518 0.0017 0.0017 0.0017 -2.4237
|