41 lines
3.8 KiB
Plaintext
41 lines
3.8 KiB
Plaintext
38
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -1.31013 -0.46912 4.43937 -0.0022 -0.0022 -0.0022 -2.2547
|
|
Ag 4.22137 -1.51750 0.01253 -0.0003 -0.0003 -0.0003 -2.3070
|
|
Ag -2.26178 -0.20532 -3.38302 0.0016 0.0016 0.0016 -2.4940
|
|
Ag 2.46052 -0.60373 -3.68760 0.0007 0.0007 0.0007 -2.3443
|
|
Ag 1.20053 0.51834 4.29575 0.0006 0.0006 0.0006 -2.3468
|
|
Ag -2.99523 0.02704 2.48039 0.0011 0.0011 0.0011 -2.4839
|
|
Ag -2.36265 2.42516 1.12648 -0.0009 -0.0009 -0.0009 -2.5908
|
|
Ag 2.54418 2.72411 -0.45314 0.0000 0.0000 0.0000 -2.5305
|
|
Ag -2.01275 -0.08582 -0.23402 0.0021 0.0021 0.0021 -2.8787
|
|
Ag -3.16645 1.91728 -1.61828 0.0059 0.0059 0.0059 -2.4858
|
|
Ag -0.24228 0.14905 1.96170 -0.0001 -0.0001 -0.0001 -2.8662
|
|
Ag 1.77170 2.07190 2.11086 0.0019 0.0019 0.0019 -2.6326
|
|
Ag -0.90744 2.19822 -3.06064 -0.0014 -0.0014 -0.0014 -2.5424
|
|
Ag -2.03098 -2.35866 -1.75749 -0.0025 -0.0025 -0.0025 -2.6254
|
|
Ag -0.03351 2.00212 -0.32760 0.0008 0.0008 0.0008 -2.8979
|
|
Ag 0.16484 -0.32775 -2.08523 -0.0009 -0.0009 -0.0009 -2.9073
|
|
Ag -1.65388 4.22042 -0.75794 0.0017 0.0017 0.0017 -2.2994
|
|
Ag -0.03383 -2.58396 -3.67299 -0.0015 -0.0015 -0.0015 -2.3825
|
|
Ag -4.47416 -0.93587 -2.01000 -0.0013 -0.0013 -0.0013 -2.2502
|
|
Ag 4.37469 1.25657 1.10228 -0.0020 -0.0020 -0.0020 -2.2886
|
|
Ag 0.00874 -4.33821 -1.48648 -0.0006 -0.0006 -0.0006 -2.3673
|
|
Ag 0.71618 4.19914 -1.84762 -0.0012 -0.0012 -0.0012 -2.3024
|
|
Ag 0.00642 -0.10607 -4.88035 0.0007 0.0007 0.0007 -2.2680
|
|
Ag 1.77860 1.83483 -2.87508 0.0013 0.0013 0.0013 -2.5156
|
|
Ag -2.37119 -4.35415 0.03345 0.0005 0.0005 0.0005 -2.3245
|
|
Ag 2.36349 -2.89761 1.25448 0.0034 0.0034 0.0034 -2.4336
|
|
Ag -0.67742 2.48143 3.42302 0.0008 0.0008 0.0008 -2.3560
|
|
Ag 3.89197 0.56264 -1.68989 -0.0008 -0.0008 -0.0008 -2.4314
|
|
Ag -3.88833 -1.98346 0.40827 0.0016 0.0016 0.0016 -2.4626
|
|
Ag 2.14891 -2.24706 -1.53440 0.0019 0.0019 0.0019 -2.6095
|
|
Ag 1.91697 -0.04422 0.13750 0.0001 0.0001 0.0001 -2.9276
|
|
Ag -0.15989 -2.19714 0.10066 -0.0023 -0.0023 -0.0023 -2.8160
|
|
Ag 0.64107 -2.13359 3.16232 0.0011 0.0011 0.0011 -2.5022
|
|
Ag 3.22609 -0.43426 2.78909 0.0009 0.0009 0.0009 -2.3812
|
|
Ag -4.52757 0.80887 0.43024 -0.0011 -0.0011 -0.0011 -2.3306
|
|
Ag -0.04190 -4.57487 1.33488 0.0009 0.0009 0.0009 -2.3120
|
|
Ag 0.33889 4.25042 1.29792 -0.0026 -0.0026 -0.0026 -2.3101
|
|
Ag -1.95744 -2.58277 2.12700 -0.0021 -0.0021 -0.0021 -2.5608
|