86 lines
8.3 KiB
Plaintext
86 lines
8.3 KiB
Plaintext
83
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.33014 14.38954 3.20122 -0.0003 -0.0003 -0.0003 -2.9245
|
|
Ag 1.19754 16.30277 2.36886 -0.0022 -0.0022 -0.0022 -2.8552
|
|
Ag 0.56360 11.51191 0.64396 -0.0005 -0.0005 -0.0005 -2.9149
|
|
Ag -5.07120 13.79990 2.56981 -0.0011 -0.0011 -0.0011 -2.8800
|
|
Ag -3.32437 11.68838 3.55739 0.0005 0.0005 0.0005 -2.8351
|
|
Ag 0.42995 13.55357 2.75431 0.0006 0.0006 0.0006 -2.8372
|
|
Ag -3.31564 12.07101 -1.58604 0.0002 0.0002 0.0002 -2.7662
|
|
Ag -4.20487 13.56110 5.25890 -0.0010 -0.0010 -0.0010 -2.8205
|
|
Ag -4.71983 11.57105 0.83430 0.0022 0.0022 0.0022 -2.8094
|
|
Ag -4.36751 16.18297 4.19681 -0.0030 -0.0030 -0.0030 -2.8889
|
|
Ag -3.80507 14.24613 -0.02589 0.0011 0.0011 0.0011 -2.8869
|
|
Ag -0.59809 11.01504 3.24697 -0.0003 -0.0003 -0.0003 -2.8923
|
|
Ag -2.76760 9.69953 1.64673 0.0016 0.0016 0.0016 -2.7685
|
|
Ag 3.67401 15.26982 1.66199 0.0011 0.0011 0.0011 -2.6721
|
|
Ag 3.11433 10.65033 0.11114 -0.0021 -0.0021 -0.0021 -2.3614
|
|
Ag -1.23748 15.05610 0.73428 -0.0002 -0.0002 -0.0002 -2.8852
|
|
Ag -5.38300 8.78788 1.60230 0.0000 0.0000 0.0000 -2.2827
|
|
Ag -4.05545 14.76280 7.74330 -0.0038 -0.0038 -0.0038 -2.5324
|
|
Ag -2.02085 12.39547 1.17065 0.0017 0.0017 0.0017 -2.9011
|
|
Ag -4.67179 11.09992 5.96321 0.0016 0.0016 0.0016 -2.4319
|
|
Ag -5.06072 13.43919 -3.50533 -0.0004 -0.0004 -0.0004 -2.3673
|
|
Ag 1.70284 18.93503 2.09502 0.0017 0.0017 0.0017 -2.4752
|
|
Ag -4.99308 18.07217 -0.25546 -0.0016 -0.0016 -0.0016 -2.3138
|
|
Ag -0.77587 19.67416 3.23651 0.0001 0.0001 0.0001 -2.4120
|
|
Ag -1.61868 9.99583 -0.95785 0.0020 0.0020 0.0020 -2.6948
|
|
Ag -1.66451 18.32529 5.65762 -0.0019 -0.0019 -0.0019 -2.5548
|
|
Ag -2.13080 15.73002 5.84494 -0.0000 -0.0000 -0.0000 -2.8409
|
|
Ag -0.81766 14.43257 8.05561 -0.0005 -0.0005 -0.0005 -2.5364
|
|
Ag 1.44309 14.25616 0.22693 0.0001 0.0001 0.0001 -2.8950
|
|
Ag 3.97638 13.35048 -0.41605 0.0002 0.0002 0.0002 -2.4595
|
|
Ag 0.34103 15.25889 4.73362 0.0010 0.0010 0.0010 -2.7975
|
|
Ag -4.15215 17.71490 6.60268 -0.0029 -0.0029 -0.0029 -2.4851
|
|
Ag -0.55587 17.85359 0.65651 -0.0045 -0.0045 -0.0045 -2.6538
|
|
Ag 4.49986 18.25026 1.46842 -0.0040 -0.0040 -0.0040 -2.1524
|
|
Ag -1.45710 17.03317 3.25925 -0.0042 -0.0042 -0.0042 -2.9257
|
|
Ag 3.43321 17.31179 3.69070 0.0016 0.0016 0.0016 -2.4837
|
|
Ag -1.07612 13.08514 5.39217 -0.0018 -0.0018 -0.0018 -2.8650
|
|
Ag 1.57038 12.10514 4.80196 -0.0025 -0.0025 -0.0025 -2.6923
|
|
Ag 4.76731 16.25082 -0.56743 0.0001 0.0001 0.0001 -2.2070
|
|
Ag 0.66130 9.34124 5.04511 0.0021 0.0021 0.0021 -2.2748
|
|
Ag -2.70835 16.76606 -1.06631 0.0016 0.0016 0.0016 -2.5997
|
|
Ag -5.98631 12.84773 7.31600 0.0025 0.0025 0.0025 -2.2540
|
|
Ag -6.27422 10.63999 3.03377 -0.0013 -0.0013 -0.0013 -2.4573
|
|
Ag -2.72884 14.57185 -2.80099 -0.0015 -0.0015 -0.0015 -2.6501
|
|
Ag -7.26824 12.67809 1.54069 0.0012 0.0012 0.0012 -2.4778
|
|
Ag -6.21066 15.35456 6.14122 -0.0026 -0.0026 -0.0026 -2.5513
|
|
Ag 2.92553 12.62672 2.19042 -0.0014 -0.0014 -0.0014 -2.6511
|
|
Ag -5.17798 15.77459 -1.82731 -0.0001 -0.0001 -0.0001 -2.4841
|
|
Ag -0.08831 15.85714 -1.63387 0.0003 0.0003 0.0003 -2.5830
|
|
Ag 1.97831 10.12272 2.71092 0.0009 0.0009 0.0009 -2.4932
|
|
Ag -1.76171 10.50921 5.86992 0.0012 0.0012 0.0012 -2.6567
|
|
Ag -1.32202 8.43133 3.69151 0.0008 0.0008 0.0008 -2.3394
|
|
Ag -4.27048 9.33232 -0.80041 -0.0029 -0.0029 -0.0029 -2.5400
|
|
Ag -2.69529 12.41434 7.70845 0.0011 0.0011 0.0011 -2.4932
|
|
Ag -0.13921 13.72100 -3.75559 0.0002 0.0002 0.0002 -2.3352
|
|
Ag -5.77624 17.96338 2.40976 -0.0020 -0.0020 -0.0020 -2.4916
|
|
Ag -6.28806 15.44182 0.66670 0.0025 0.0025 0.0025 -2.6203
|
|
Ag -2.59959 12.30836 -4.34118 -0.0006 -0.0006 -0.0006 -2.4291
|
|
Ag 3.04419 14.63848 4.39649 0.0014 0.0014 0.0014 -2.5931
|
|
Ag 2.72127 16.61426 6.24398 -0.0003 -0.0003 -0.0003 -2.3270
|
|
Ag -2.32180 16.78738 8.23622 -0.0013 -0.0013 -0.0013 -2.3033
|
|
Ag 1.04554 9.55082 -1.35829 -0.0031 -0.0031 -0.0031 -2.3712
|
|
Ag 0.29302 11.81464 7.33803 -0.0000 -0.0000 -0.0000 -2.3730
|
|
Ag 0.92718 18.00866 4.63771 -0.0023 -0.0023 -0.0023 -2.6783
|
|
Ag -6.99846 15.61986 3.47671 -0.0018 -0.0018 -0.0018 -2.5245
|
|
Ag -3.66278 18.79330 3.93642 -0.0019 -0.0019 -0.0019 -2.5697
|
|
Ag -6.34267 17.97260 5.06569 0.0008 0.0008 0.0008 -2.3191
|
|
Ag 1.73996 14.21908 7.04197 -0.0010 -0.0010 -0.0010 -2.4720
|
|
Ag -0.88389 13.02521 -1.32056 0.0010 0.0010 0.0010 -2.8137
|
|
Ag -0.48949 10.99105 -3.22940 -0.0018 -0.0018 -0.0018 -2.5213
|
|
Ag -3.12050 9.81979 -3.34088 0.0000 0.0000 0.0000 -2.3585
|
|
Ag -0.20538 8.79157 1.10031 0.0023 0.0023 0.0023 -2.4578
|
|
Ag 2.73719 15.31847 -1.90319 0.0022 0.0022 0.0022 -2.3632
|
|
Ag -6.82738 10.51850 -0.04848 -0.0012 -0.0012 -0.0012 -2.3668
|
|
Ag -6.21654 13.17488 -0.97510 0.0011 0.0011 0.0011 -2.6525
|
|
Ag -6.87708 12.91048 4.50722 -0.0004 -0.0004 -0.0004 -2.5266
|
|
Ag -2.74205 19.25768 1.48317 0.0013 0.0013 0.0013 -2.3861
|
|
Ag -3.82377 9.21643 4.24057 0.0005 0.0005 0.0005 -2.4174
|
|
Ag 0.20437 16.70014 7.10506 0.0019 0.0019 0.0019 -2.5486
|
|
Ag -3.62208 16.47677 1.54481 0.0003 0.0003 0.0003 -2.8767
|
|
Ag 1.73422 12.30202 -1.88292 -0.0013 -0.0013 -0.0013 -2.6427
|
|
Ag -5.44936 11.04504 -2.44945 0.0010 0.0010 0.0010 -2.3643
|
|
Ag 2.29613 17.26960 0.03150 -0.0013 -0.0013 -0.0013 -2.6179
|