79 lines
7.6 KiB
Plaintext
79 lines
7.6 KiB
Plaintext
76
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 3.91070 0.07368 -0.01811 -0.0018 -0.0018 -0.0018 -2.8771
|
|
Ag -6.08294 0.83668 0.34531 -0.0030 -0.0030 -0.0030 -2.3258
|
|
Ag 0.49955 -1.16266 3.93648 -0.0007 -0.0007 -0.0007 -2.7382
|
|
Ag 1.39301 1.61671 4.62286 0.0022 0.0022 0.0022 -2.4946
|
|
Ag 2.73866 -2.79763 3.66421 0.0039 0.0039 0.0039 -2.4137
|
|
Ag 2.70712 4.86438 -2.33460 0.0010 0.0010 0.0010 -2.4910
|
|
Ag -4.87383 0.81016 2.77041 -0.0042 -0.0042 -0.0042 -2.5576
|
|
Ag -3.55234 -0.05309 0.56808 -0.0019 -0.0019 -0.0019 -2.8714
|
|
Ag -4.09642 -3.23762 -1.93040 0.0011 0.0011 0.0011 -2.5213
|
|
Ag 0.16737 1.13134 2.44443 -0.0008 -0.0008 -0.0008 -2.7412
|
|
Ag -3.34778 2.72744 4.48821 0.0013 0.0013 0.0013 -2.3867
|
|
Ag -1.65209 -5.18502 1.62360 0.0004 0.0004 0.0004 -2.4682
|
|
Ag -2.95215 4.81437 2.75506 -0.0019 -0.0019 -0.0019 -2.3280
|
|
Ag -4.83244 3.11629 1.21882 -0.0014 -0.0014 -0.0014 -2.4242
|
|
Ag 0.72536 2.76752 -2.23265 -0.0031 -0.0031 -0.0031 -2.8702
|
|
Ag 1.10682 0.73475 -0.35413 -0.0021 -0.0021 -0.0021 -2.7347
|
|
Ag -2.41116 2.06821 1.88010 0.0003 0.0003 0.0003 -2.8928
|
|
Ag -4.13101 2.19823 -1.15714 0.0007 0.0007 0.0007 -2.5590
|
|
Ag 6.58783 -0.37269 0.35439 0.0028 0.0028 0.0028 -2.3166
|
|
Ag -2.63771 1.18471 -3.24385 0.0027 0.0027 0.0027 -2.5743
|
|
Ag 1.91330 -1.16046 1.55571 -0.0015 -0.0015 -0.0015 -2.9004
|
|
Ag 2.93629 2.64260 -0.78659 -0.0012 -0.0012 -0.0012 -2.8412
|
|
Ag 5.68244 2.15090 -0.41399 0.0020 0.0020 0.0020 -2.5717
|
|
Ag 2.50764 5.32837 0.61806 0.0035 0.0035 0.0035 -2.5247
|
|
Ag 4.72762 -1.64161 1.98344 -0.0006 -0.0006 -0.0006 -2.5344
|
|
Ag -0.52469 5.51332 1.68788 -0.0014 -0.0014 -0.0014 -2.3630
|
|
Ag -1.37279 -0.85470 -4.85450 0.0006 0.0006 0.0006 -2.4999
|
|
Ag 4.88727 4.80782 -0.73194 0.0017 0.0017 0.0017 -2.2747
|
|
Ag -0.50301 1.96675 -4.60242 0.0000 0.0000 0.0000 -2.5626
|
|
Ag -2.19688 -0.71339 2.91100 -0.0011 -0.0011 -0.0011 -2.8806
|
|
Ag -1.86997 3.70694 -2.65913 -0.0019 -0.0019 -0.0019 -2.5373
|
|
Ag 5.49994 1.21256 2.34416 0.0014 0.0014 0.0014 -2.5453
|
|
Ag -1.27531 0.99145 4.89495 0.0018 0.0018 0.0018 -2.5941
|
|
Ag -4.00635 -1.79247 -4.34568 0.0024 0.0024 0.0024 -2.2033
|
|
Ag 1.90473 4.07577 3.08879 -0.0018 -0.0018 -0.0018 -2.5779
|
|
Ag 1.42927 -0.03552 -4.99127 0.0026 0.0026 0.0026 -2.5476
|
|
Ag -5.71414 -2.29823 -0.02375 0.0009 0.0009 0.0009 -2.3659
|
|
Ag -4.57418 -4.53645 1.13770 -0.0041 -0.0041 -0.0041 -2.2304
|
|
Ag 2.81879 1.70384 2.06651 0.0020 0.0020 0.0020 -2.7860
|
|
Ag -5.02432 -0.54244 -2.06959 0.0001 0.0001 0.0001 -2.5133
|
|
Ag 4.40343 2.56013 -3.26019 -0.0006 -0.0006 -0.0006 -2.4823
|
|
Ag 2.73141 -3.68242 0.67970 0.0020 0.0020 0.0020 -2.6172
|
|
Ag -4.59932 -1.93773 2.59927 0.0023 0.0023 0.0023 -2.5355
|
|
Ag -1.73365 -3.16465 -3.42197 0.0004 0.0004 0.0004 -2.5766
|
|
Ag -1.50153 -1.66259 5.67113 0.0008 0.0008 0.0008 -2.3260
|
|
Ag -0.76393 -0.70530 0.63958 0.0010 0.0010 0.0010 -2.7640
|
|
Ag 2.13404 -1.66030 -1.24839 0.0032 0.0032 0.0032 -2.8092
|
|
Ag -2.32766 -1.09822 -1.76676 0.0002 0.0002 0.0002 -2.8644
|
|
Ag -2.47137 -3.40948 3.42864 0.0023 0.0023 0.0023 -2.5572
|
|
Ag 0.88604 -2.50679 -3.74583 0.0013 0.0013 0.0013 -2.6709
|
|
Ag 0.42322 3.27931 0.76014 -0.0011 -0.0011 -0.0011 -2.8746
|
|
Ag -0.22727 -2.82655 -1.03060 0.0025 0.0025 0.0025 -2.8850
|
|
Ag -2.64826 -2.73683 0.63237 -0.0008 -0.0008 -0.0008 -2.9145
|
|
Ag 0.23986 4.56680 -4.22891 -0.0008 -0.0008 -0.0008 -2.2704
|
|
Ag 0.10442 -3.75818 4.58472 -0.0018 -0.0018 -0.0018 -2.3747
|
|
Ag 0.06877 -5.08719 -2.86588 -0.0025 -0.0025 -0.0025 -2.3520
|
|
Ag 4.05584 2.65698 4.33686 0.0024 0.0024 0.0024 -2.3317
|
|
Ag 4.72188 -2.47147 -0.99838 0.0038 0.0038 0.0038 -2.5154
|
|
Ag 4.04298 0.40380 -5.05204 -0.0019 -0.0019 -0.0019 -2.3014
|
|
Ag 3.49497 -0.09720 3.96357 0.0003 0.0003 0.0003 -2.5516
|
|
Ag -0.76905 3.41843 3.64281 0.0007 0.0007 0.0007 -2.6363
|
|
Ag 2.72091 0.61704 -2.64228 -0.0028 -0.0028 -0.0028 -2.8451
|
|
Ag 4.37450 3.66921 1.65106 -0.0020 -0.0020 -0.0020 -2.5150
|
|
Ag -0.03676 -3.06777 1.86448 0.0012 0.0012 0.0012 -2.8690
|
|
Ag -3.74385 -0.13187 5.14597 -0.0004 -0.0004 -0.0004 -2.3233
|
|
Ag -2.19079 -5.06191 -1.25581 -0.0025 -0.0025 -0.0025 -2.4829
|
|
Ag 0.16459 5.29266 -1.11368 -0.0015 -0.0015 -0.0015 -2.5138
|
|
Ag -2.51168 4.04767 -0.03884 0.0013 0.0013 0.0013 -2.6155
|
|
Ag 0.87010 -5.54734 2.53222 0.0029 0.0029 0.0029 -2.2332
|
|
Ag -1.59455 1.50933 -0.85229 -0.0052 -0.0052 -0.0052 -2.8723
|
|
Ag 5.53092 0.11073 -2.24249 0.0005 0.0005 0.0005 -2.5312
|
|
Ag 0.01870 -0.03764 -2.63877 -0.0031 -0.0031 -0.0031 -2.8787
|
|
Ag 0.62023 -5.22255 -0.10010 0.0039 0.0039 0.0039 -2.5401
|
|
Ag 2.19872 2.61094 -4.69529 -0.0002 -0.0002 -0.0002 -2.5292
|
|
Ag 2.57605 -4.19206 -2.12767 0.0031 0.0031 0.0031 -2.4864
|
|
Ag 3.63806 -1.92560 -3.60462 0.0003 0.0003 0.0003 -2.5225
|