80 lines
7.7 KiB
Plaintext
80 lines
7.7 KiB
Plaintext
77
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -2.20155 3.96286 0.59863 -0.0018 -0.0018 -0.0018 -2.6564
|
|
Ag -3.39917 1.11732 4.64531 0.0010 0.0010 0.0010 -2.4633
|
|
Ag 2.53475 -1.36280 -0.48163 0.0016 0.0016 0.0016 -2.8972
|
|
Ag -0.76911 5.45397 -1.17317 -0.0009 -0.0009 -0.0009 -2.3485
|
|
Ag 4.69099 -0.42258 0.56712 -0.0064 -0.0064 -0.0064 -2.6419
|
|
Ag -2.97618 4.46329 -2.14200 0.0021 0.0021 0.0021 -2.3717
|
|
Ag 0.76790 -0.51399 1.53586 -0.0041 -0.0041 -0.0041 -2.9214
|
|
Ag -4.41109 2.84226 -0.38459 0.0012 0.0012 0.0012 -2.4882
|
|
Ag 1.69754 -0.72574 -3.26779 0.0038 0.0038 0.0038 -2.8104
|
|
Ag -6.13670 0.81066 0.63290 0.0003 0.0003 0.0003 -2.3745
|
|
Ag -1.70734 -1.85831 0.14507 0.0014 0.0014 0.0014 -2.8182
|
|
Ag -2.09907 -3.64320 -2.82542 0.0000 0.0000 0.0000 -2.4989
|
|
Ag -3.52341 0.29014 0.10411 0.0002 0.0002 0.0002 -2.8493
|
|
Ag 1.81012 0.98931 -5.46736 -0.0050 -0.0050 -0.0050 -2.6667
|
|
Ag 0.25992 -2.51130 -1.62114 -0.0025 -0.0025 -0.0025 -2.8429
|
|
Ag 0.69505 -6.07853 0.34132 -0.0019 -0.0019 -0.0019 -2.3538
|
|
Ag 2.16558 3.80407 -4.58642 -0.0014 -0.0014 -0.0014 -2.3528
|
|
Ag -3.91872 -2.74039 -0.91519 0.0008 0.0008 0.0008 -2.5939
|
|
Ag -2.25194 -0.94028 -2.41058 0.0009 0.0009 0.0009 -2.7710
|
|
Ag -1.29772 1.35643 1.18033 0.0004 0.0004 0.0004 -2.8576
|
|
Ag 0.35582 3.10387 -0.34020 0.0020 0.0020 0.0020 -2.8767
|
|
Ag 4.80656 -3.08799 0.11411 -0.0015 -0.0015 -0.0015 -2.4505
|
|
Ag 0.09485 0.15766 -1.15480 0.0021 0.0021 0.0021 -2.9055
|
|
Ag 0.71148 4.08047 4.39410 -0.0003 -0.0003 -0.0003 -2.3825
|
|
Ag 0.30450 -5.23440 -2.18967 0.0001 0.0001 0.0001 -2.3792
|
|
Ag 2.56464 -4.18229 -0.98762 0.0030 0.0030 0.0030 -2.6436
|
|
Ag 3.04054 -2.23429 2.11556 0.0001 0.0001 0.0001 -2.6898
|
|
Ag 4.31699 3.31849 -1.22570 -0.0008 -0.0008 -0.0008 -2.5011
|
|
Ag -1.13785 2.22677 5.65451 0.0005 0.0005 0.0005 -2.3698
|
|
Ag 1.57474 -1.11217 4.43049 0.0031 0.0031 0.0031 -2.6489
|
|
Ag -2.89340 -0.19141 -5.01747 -0.0025 -0.0025 -0.0025 -2.4595
|
|
Ag 3.30578 3.42708 3.52872 0.0018 0.0018 0.0018 -2.3777
|
|
Ag 4.92996 2.58096 1.46798 0.0001 0.0001 0.0001 -2.4397
|
|
Ag 4.08029 0.33870 -2.10493 0.0016 0.0016 0.0016 -2.7759
|
|
Ag -2.63096 2.59890 -4.23437 -0.0044 -0.0044 -0.0044 -2.4708
|
|
Ag 2.84021 4.34866 0.97276 0.0025 0.0025 0.0025 -2.5462
|
|
Ag 1.56050 -1.82888 -5.99970 -0.0017 -0.0017 -0.0017 -2.3352
|
|
Ag -1.70294 -4.65799 -0.39685 -0.0007 -0.0007 -0.0007 -2.6010
|
|
Ag 4.32869 -2.27861 -2.43314 -0.0001 -0.0001 -0.0001 -2.4987
|
|
Ag -0.57136 -0.12401 -6.51302 0.0014 0.0014 0.0014 -2.3272
|
|
Ag -0.53958 0.84932 -3.89772 -0.0025 -0.0025 -0.0025 -2.8904
|
|
Ag 1.00707 2.39495 2.28866 -0.0034 -0.0034 -0.0034 -2.8764
|
|
Ag -0.51086 -1.86973 -4.30154 -0.0028 -0.0028 -0.0028 -2.6515
|
|
Ag 3.05387 0.56021 2.73001 0.0010 0.0010 0.0010 -2.6779
|
|
Ag -2.59686 -1.36961 5.29922 -0.0005 -0.0005 -0.0005 -2.5639
|
|
Ag 0.25070 5.02144 1.78831 -0.0035 -0.0035 -0.0035 -2.4499
|
|
Ag -6.02452 -1.02918 -1.54173 -0.0033 -0.0033 -0.0033 -2.3250
|
|
Ag -5.57961 -0.04101 3.16943 -0.0012 -0.0012 -0.0012 -2.4037
|
|
Ag -2.94267 -0.57513 2.60953 -0.0018 -0.0018 -0.0018 -2.8549
|
|
Ag 1.36173 -3.93331 3.63380 0.0017 0.0017 0.0017 -2.5040
|
|
Ag 6.30377 1.52673 -0.75325 -0.0005 -0.0005 -0.0005 -2.2562
|
|
Ag 0.75898 -3.29950 0.93847 -0.0012 -0.0012 -0.0012 -2.8920
|
|
Ag -2.47217 -4.00581 4.52851 -0.0025 -0.0025 -0.0025 -2.3510
|
|
Ag -0.87116 -5.01147 2.42068 -0.0009 -0.0009 -0.0009 -2.5147
|
|
Ag -4.28562 0.93461 -2.64374 0.0004 0.0004 0.0004 -2.6144
|
|
Ag -5.48197 -1.87805 1.11163 0.0012 0.0012 0.0012 -2.5186
|
|
Ag -0.62070 0.51171 3.70910 -0.0015 -0.0015 -0.0015 -2.8454
|
|
Ag -3.95164 2.12424 2.23500 0.0000 0.0000 0.0000 -2.6323
|
|
Ag -1.88780 2.05427 -1.46941 0.0005 0.0005 0.0005 -2.8741
|
|
Ag 4.09765 1.94572 -4.23234 -0.0023 -0.0023 -0.0023 -2.3476
|
|
Ag 2.10220 -3.32955 -3.52875 0.0016 0.0016 0.0016 -2.5072
|
|
Ag -4.35292 -1.88972 -3.48306 -0.0001 -0.0001 -0.0001 -2.3174
|
|
Ag -0.42422 3.65327 -3.15293 0.0006 0.0006 0.0006 -2.6671
|
|
Ag 1.86707 2.00432 -2.53323 -0.0012 -0.0012 -0.0012 -2.9028
|
|
Ag -0.85100 -2.27867 3.07254 0.0018 0.0018 0.0018 -2.8885
|
|
Ag -1.65128 3.16728 3.17458 -0.0007 -0.0007 -0.0007 -2.6390
|
|
Ag -0.38185 -0.30978 6.31560 -0.0011 -0.0011 -0.0011 -2.3757
|
|
Ag -0.36197 -3.06699 5.60954 -0.0035 -0.0035 -0.0035 -2.3438
|
|
Ag 2.85886 -5.06080 1.49629 -0.0001 -0.0001 -0.0001 -2.3375
|
|
Ag 1.64312 1.55483 4.99053 0.0001 0.0001 0.0001 -2.5597
|
|
Ag 6.39742 -1.15500 -1.36287 0.0012 0.0012 0.0012 -2.2255
|
|
Ag -4.72378 -2.53015 3.85394 -0.0004 -0.0004 -0.0004 -2.3687
|
|
Ag 3.96350 -0.78137 -4.76368 0.0034 0.0034 0.0034 -2.4189
|
|
Ag -3.15260 -3.38410 1.82367 0.0011 0.0011 0.0011 -2.6683
|
|
Ag 2.68766 1.54555 0.23367 -0.0007 -0.0007 -0.0007 -2.8987
|
|
Ag 1.82281 4.68574 -2.00878 -0.0007 -0.0007 -0.0007 -2.4639
|
|
Ag -0.07266 2.96988 -5.66788 0.0044 0.0044 0.0044 -2.3219
|