83 lines
8.0 KiB
Plaintext
83 lines
8.0 KiB
Plaintext
80
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -4.43448 -1.01641 -1.86028 0.0002 0.0002 0.0002 -2.5804
|
|
Ag 0.52494 4.49597 1.03324 -0.0023 -0.0023 -0.0023 -2.6578
|
|
Ag -4.59507 3.10048 -4.50142 0.0034 0.0034 0.0034 -2.3214
|
|
Ag -0.00243 -5.43423 -1.42654 0.0001 0.0001 0.0001 -2.3681
|
|
Ag -3.09398 -1.60417 -4.42480 0.0037 0.0037 0.0037 -2.5352
|
|
Ag 2.01581 2.31913 2.09039 -0.0045 -0.0045 -0.0045 -2.8906
|
|
Ag -4.31870 -1.03088 1.00794 -0.0014 -0.0014 -0.0014 -2.6639
|
|
Ag 0.43932 1.23844 -6.61609 -0.0034 -0.0034 -0.0034 -2.3402
|
|
Ag 5.93235 -0.61237 -0.34520 0.0007 0.0007 0.0007 -2.4253
|
|
Ag -0.15428 -2.98018 -0.46775 -0.0007 -0.0007 -0.0007 -2.8693
|
|
Ag 1.27706 -0.42749 5.13226 -0.0021 -0.0021 -0.0021 -2.6715
|
|
Ag 3.78168 0.29474 3.66471 -0.0021 -0.0021 -0.0021 -2.6186
|
|
Ag 0.76177 4.33722 3.73697 -0.0001 -0.0001 -0.0001 -2.4960
|
|
Ag 1.82399 0.76165 -3.00384 -0.0032 -0.0032 -0.0032 -2.8704
|
|
Ag 4.80058 -3.33228 -0.21952 0.0005 0.0005 0.0005 -2.4866
|
|
Ag -5.55134 0.99117 2.52854 0.0010 0.0010 0.0010 -2.3472
|
|
Ag -0.25519 1.78776 3.82147 -0.0019 -0.0019 -0.0019 -2.8803
|
|
Ag 4.31076 1.45300 -1.72135 -0.0013 -0.0013 -0.0013 -2.6011
|
|
Ag -0.06376 1.62835 6.58352 0.0029 0.0029 0.0029 -2.3676
|
|
Ag 2.46205 -2.27206 0.88738 0.0019 0.0019 0.0019 -2.8772
|
|
Ag -2.53335 1.03598 5.40082 -0.0013 -0.0013 -0.0013 -2.5932
|
|
Ag 3.19260 1.97609 -5.11467 -0.0001 -0.0001 -0.0001 -2.2904
|
|
Ag 4.84436 -1.68117 2.06995 0.0019 0.0019 0.0019 -2.5876
|
|
Ag 2.21403 2.20913 4.80281 0.0006 0.0006 0.0006 -2.5037
|
|
Ag 1.49853 -5.00308 3.64042 -0.0020 -0.0020 -0.0020 -2.3770
|
|
Ag 0.22399 4.45898 -1.91150 0.0020 0.0020 0.0020 -2.5556
|
|
Ag -3.18626 1.11311 -3.22056 -0.0010 -0.0010 -0.0010 -2.8980
|
|
Ag -4.32892 3.01369 1.16934 -0.0021 -0.0021 -0.0021 -2.5461
|
|
Ag -1.41402 -0.92605 1.08302 0.0009 0.0009 0.0009 -2.9120
|
|
Ag 4.63185 3.01987 3.42038 -0.0000 -0.0000 -0.0000 -2.3475
|
|
Ag -0.40304 -2.34565 -5.27049 -0.0043 -0.0043 -0.0043 -2.5201
|
|
Ag -2.21175 2.15716 -5.78142 -0.0006 -0.0006 -0.0006 -2.5202
|
|
Ag 1.09222 -0.36037 2.37192 -0.0018 -0.0018 -0.0018 -2.9408
|
|
Ag 0.22185 -3.02972 5.17698 -0.0010 -0.0010 -0.0010 -2.5578
|
|
Ag -2.73385 1.10277 2.54377 -0.0012 -0.0012 -0.0012 -2.8837
|
|
Ag 4.41507 3.08496 0.66239 -0.0004 -0.0004 -0.0004 -2.5775
|
|
Ag 2.61809 3.44241 -3.05038 0.0038 0.0038 0.0038 -2.4638
|
|
Ag 2.68735 4.86775 -0.64651 -0.0016 -0.0016 -0.0016 -2.3924
|
|
Ag -1.74506 -3.64696 -3.05415 -0.0021 -0.0021 -0.0021 -2.5026
|
|
Ag -2.08012 3.84838 -3.10425 0.0004 0.0004 0.0004 -2.5291
|
|
Ag -4.50788 3.00847 -1.72141 -0.0005 -0.0005 -0.0005 -2.5385
|
|
Ag -0.70205 1.81301 -1.89365 -0.0007 -0.0007 -0.0007 -2.9187
|
|
Ag 3.04082 4.91137 2.19483 0.0001 0.0001 0.0001 -2.3878
|
|
Ag -1.21012 -4.81647 3.83062 -0.0021 -0.0021 -0.0021 -2.3669
|
|
Ag -1.51283 -5.00765 0.86314 -0.0018 -0.0018 -0.0018 -2.4695
|
|
Ag 1.47059 -4.95568 0.90983 0.0028 0.0028 0.0028 -2.6046
|
|
Ag -0.52535 1.75865 0.97083 0.0006 0.0006 0.0006 -2.9225
|
|
Ag 2.48472 -2.47471 3.59274 0.0006 0.0006 0.0006 -2.6468
|
|
Ag -1.25081 -1.00280 3.85250 0.0041 0.0041 0.0041 -2.8957
|
|
Ag 0.82968 -4.34931 -3.78247 0.0006 0.0006 0.0006 -2.3616
|
|
Ag 0.05894 -2.98740 2.33238 -0.0012 -0.0012 -0.0012 -2.8832
|
|
Ag -1.93868 3.89989 -0.22670 -0.0016 -0.0016 -0.0016 -2.6636
|
|
Ag -4.00135 -0.83613 4.04339 0.0047 0.0047 0.0047 -2.4938
|
|
Ag 2.35467 -4.00074 -1.66637 -0.0002 -0.0002 -0.0002 -2.6665
|
|
Ag 2.98733 -2.97732 -4.35231 -0.0022 -0.0022 -0.0022 -2.3810
|
|
Ag -2.87439 -3.07236 2.31928 0.0001 0.0001 0.0001 -2.6653
|
|
Ag 1.99924 -0.59826 -5.28689 -0.0003 -0.0003 -0.0003 -2.5750
|
|
Ag 3.33340 0.31949 0.73942 -0.0006 -0.0006 -0.0006 -2.8664
|
|
Ag 0.98328 -1.76280 -2.80454 -0.0008 -0.0008 -0.0008 -2.8414
|
|
Ag -0.67007 0.26130 -4.26090 0.0039 0.0039 0.0039 -2.8748
|
|
Ag -1.83358 -0.32399 -6.61036 0.0005 0.0005 0.0005 -2.3709
|
|
Ag -2.74074 -3.02893 5.14224 0.0004 0.0004 0.0004 -2.3578
|
|
Ag -3.91894 3.01715 4.10239 0.0020 0.0020 0.0020 -2.3346
|
|
Ag 5.77159 0.94502 1.83350 0.0017 0.0017 0.0017 -2.3869
|
|
Ag -1.76084 3.82773 2.62646 0.0003 0.0003 0.0003 -2.6726
|
|
Ag 4.54219 -0.10928 -3.78311 0.0004 0.0004 0.0004 -2.4301
|
|
Ag -1.32872 3.80316 5.43983 -0.0036 -0.0036 -0.0036 -2.3249
|
|
Ag 3.92562 -4.29811 2.28460 0.0008 0.0008 0.0008 -2.3550
|
|
Ag 0.73360 -0.39184 -0.55708 0.0015 0.0015 0.0015 -2.8500
|
|
Ag 1.76255 2.29611 -0.63876 0.0019 0.0019 0.0019 -2.9026
|
|
Ag -3.04496 -3.10021 -0.55302 0.0015 0.0015 0.0015 -2.5609
|
|
Ag -5.95487 0.81663 -3.39588 0.0023 0.0023 0.0023 -2.2996
|
|
Ag 0.27871 2.84425 -4.36783 -0.0000 -0.0000 -0.0000 -2.6619
|
|
Ag -1.11263 -1.06302 6.52973 -0.0001 -0.0001 -0.0001 -2.3770
|
|
Ag -1.58997 -0.85818 -1.76435 0.0006 0.0006 0.0006 -2.8904
|
|
Ag 3.50263 -1.13170 -1.45581 0.0032 0.0032 0.0032 -2.8077
|
|
Ag -4.36732 0.58105 -5.64987 0.0026 0.0026 0.0026 -2.3795
|
|
Ag -2.87980 1.21494 -0.24320 -0.0002 -0.0002 -0.0002 -2.8875
|
|
Ag 5.20121 -2.69486 -2.87794 -0.0016 -0.0016 -0.0016 -2.2334
|
|
Ag -5.77467 0.91315 -0.37801 0.0020 0.0020 0.0020 -2.4451
|