75 lines
7.2 KiB
Plaintext
75 lines
7.2 KiB
Plaintext
72
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 3.61102 3.93212 2.65717 0.0010 0.0010 0.0010 -2.4961
|
|
Ag -4.49143 0.39335 1.08163 -0.0008 -0.0008 -0.0008 -2.5392
|
|
Ag -1.40777 3.91087 -3.70913 0.0005 0.0005 0.0005 -2.4844
|
|
Ag 4.01505 1.25027 3.21116 0.0019 0.0019 0.0019 -2.5571
|
|
Ag -3.58931 -0.33311 -4.16504 -0.0003 -0.0003 -0.0003 -2.4938
|
|
Ag 0.88264 -2.02723 5.04788 0.0020 0.0020 0.0020 -2.5237
|
|
Ag 5.05896 -2.34481 -1.39118 -0.0012 -0.0012 -0.0012 -2.3206
|
|
Ag 0.12328 0.19583 -0.80857 0.0007 0.0007 0.0007 -2.8845
|
|
Ag -3.34297 2.98515 1.41515 0.0018 0.0018 0.0018 -2.3799
|
|
Ag -1.48907 -3.36049 6.31855 0.0023 0.0023 0.0023 -2.0979
|
|
Ag 3.60554 1.27473 -4.00284 -0.0005 -0.0005 -0.0005 -2.4485
|
|
Ag 4.52847 3.20355 -2.27874 0.0019 0.0019 0.0019 -2.3559
|
|
Ag 1.28131 5.33295 3.00699 -0.0022 -0.0022 -0.0022 -2.4180
|
|
Ag 1.25551 2.28845 3.21765 -0.0022 -0.0022 -0.0022 -2.8722
|
|
Ag 2.09049 -0.94816 -5.99222 -0.0023 -0.0023 -0.0023 -2.1877
|
|
Ag -0.34583 5.66629 -1.76903 0.0013 0.0013 0.0013 -2.3639
|
|
Ag 3.65668 -1.59422 -3.72087 0.0001 0.0001 0.0001 -2.5611
|
|
Ag 2.83540 -1.34538 3.05235 0.0008 0.0008 0.0008 -2.6457
|
|
Ag 2.72885 -3.72097 -2.18123 0.0008 0.0008 0.0008 -2.5721
|
|
Ag 2.06206 0.61127 1.06353 0.0004 0.0004 0.0004 -2.8835
|
|
Ag 3.37513 -3.09749 0.65811 -0.0004 -0.0004 -0.0004 -2.5537
|
|
Ag -0.96239 4.56584 0.75149 -0.0044 -0.0044 -0.0044 -2.6531
|
|
Ag 4.35983 2.24697 0.38189 -0.0003 -0.0003 -0.0003 -2.6679
|
|
Ag 1.09659 -4.42592 -0.05953 0.0000 0.0000 0.0000 -2.6631
|
|
Ag 4.77225 -0.42680 1.01498 0.0018 0.0018 0.0018 -2.5218
|
|
Ag 1.14974 2.66829 -3.83272 -0.0022 -0.0022 -0.0022 -2.5840
|
|
Ag 1.20067 -3.13101 -4.60714 -0.0005 -0.0005 -0.0005 -2.4517
|
|
Ag 1.28335 -0.24769 -3.39547 -0.0013 -0.0013 -0.0013 -2.8591
|
|
Ag -1.22271 -1.77120 -4.53493 0.0011 0.0011 0.0011 -2.5766
|
|
Ag 1.75404 3.52837 0.66839 -0.0027 -0.0027 -0.0027 -2.9024
|
|
Ag 0.27924 -5.13290 -3.00025 -0.0049 -0.0049 -0.0049 -2.3517
|
|
Ag -2.47282 1.92936 -5.46232 -0.0011 -0.0011 -0.0011 -2.2545
|
|
Ag -0.67867 -5.21587 1.93129 -0.0004 -0.0004 -0.0004 -2.4880
|
|
Ag -0.09717 0.60466 -5.72306 -0.0034 -0.0034 -0.0034 -2.3789
|
|
Ag -1.54245 -3.29427 -0.02145 -0.0022 -0.0022 -0.0022 -2.8705
|
|
Ag -3.60839 -1.66560 2.89900 0.0011 0.0011 0.0011 -2.5563
|
|
Ag -1.82047 -0.60062 1.11760 0.0011 0.0011 0.0011 -2.9177
|
|
Ag -1.22498 3.68814 3.44938 -0.0023 -0.0023 -0.0023 -2.5294
|
|
Ag -4.70349 0.12022 -1.60290 -0.0036 -0.0036 -0.0036 -2.5827
|
|
Ag -2.37482 1.16075 3.39950 -0.0010 -0.0010 -0.0010 -2.6445
|
|
Ag 0.20229 -2.56547 -2.06604 -0.0023 -0.0023 -0.0023 -2.8861
|
|
Ag -3.75782 2.28550 -3.08665 -0.0008 -0.0008 -0.0008 -2.5777
|
|
Ag -2.41768 1.58135 -0.61217 -0.0007 -0.0007 -0.0007 -2.8471
|
|
Ag 4.03302 5.00637 0.16123 0.0007 0.0007 0.0007 -2.3479
|
|
Ag -3.36802 -4.32247 1.69096 0.0002 0.0002 0.0002 -2.4823
|
|
Ag -2.16776 -3.90682 -2.95838 -0.0028 -0.0028 -0.0028 -2.5847
|
|
Ag 2.69936 -1.05724 -1.07594 0.0009 0.0009 0.0009 -2.8660
|
|
Ag -0.22349 -4.79356 4.51168 -0.0012 -0.0012 -0.0012 -2.3317
|
|
Ag 0.66022 4.01569 5.23562 -0.0025 -0.0025 -0.0025 -2.2357
|
|
Ag -0.31623 1.65573 5.37619 0.0010 0.0010 0.0010 -2.4473
|
|
Ag -0.19738 2.95969 -1.42047 0.0001 0.0001 0.0001 -2.8736
|
|
Ag 4.89168 0.41082 -1.76777 -0.0009 -0.0009 -0.0009 -2.5645
|
|
Ag 2.21628 1.54680 -1.69260 -0.0036 -0.0036 -0.0036 -2.7806
|
|
Ag -2.78481 4.29512 -1.21395 -0.0009 -0.0009 -0.0009 -2.5525
|
|
Ag -0.60151 1.92646 1.35117 0.0001 0.0001 0.0001 -2.8653
|
|
Ag -1.37638 -5.75035 -0.90278 0.0004 0.0004 0.0004 -2.3832
|
|
Ag 0.98690 -1.78689 1.03748 -0.0006 -0.0006 -0.0006 -2.8122
|
|
Ag 2.35234 0.65633 5.43655 0.0014 0.0014 0.0014 -2.3397
|
|
Ag 3.22804 3.06236 5.13473 -0.0003 -0.0003 -0.0003 -2.2629
|
|
Ag 2.28973 4.72173 -1.82883 0.0017 0.0017 0.0017 -2.5379
|
|
Ag -1.08056 -2.76755 2.79247 -0.0023 -0.0023 -0.0023 -2.8552
|
|
Ag -2.20436 -1.16241 -1.75143 0.0019 0.0019 0.0019 -2.8968
|
|
Ag 1.62325 6.28432 0.46178 0.0003 0.0003 0.0003 -2.3289
|
|
Ag -4.40218 -2.39020 -2.60405 0.0026 0.0026 0.0026 -2.3718
|
|
Ag -4.21217 -2.18546 0.02063 0.0003 0.0003 0.0003 -2.6355
|
|
Ag -4.88310 2.83473 -0.45815 -0.0004 -0.0004 -0.0004 -2.1950
|
|
Ag -2.99000 -4.00323 4.25325 -0.0023 -0.0023 -0.0023 -2.3102
|
|
Ag -3.92735 -4.66456 -1.02284 -0.0007 -0.0007 -0.0007 -2.3634
|
|
Ag 1.61954 -3.83276 2.75535 -0.0018 -0.0018 -0.0018 -2.5671
|
|
Ag -1.70206 -0.98055 5.01769 0.0008 0.0008 0.0008 -2.5285
|
|
Ag -1.21494 1.01295 -3.22587 -0.0027 -0.0027 -0.0027 -2.9004
|
|
Ag 0.07209 -0.28174 3.04446 -0.0020 -0.0020 -0.0020 -2.8446
|