54 lines
5.1 KiB
Plaintext
54 lines
5.1 KiB
Plaintext
51
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.33181 0.04107 6.94709 0.0038 0.0038 0.0038 -2.0595
|
|
Ag 6.28848 -3.74249 -0.55222 -0.0005 -0.0005 -0.0005 -1.8403
|
|
Ag -4.98385 3.43651 -0.12479 -0.0057 -0.0057 -0.0057 -2.0575
|
|
Ag 1.35277 1.84732 0.54511 -0.0049 -0.0049 -0.0049 -2.7736
|
|
Ag 0.79469 -0.27742 -2.10114 -0.0072 -0.0072 -0.0072 -2.8643
|
|
Ag -0.35766 4.11121 0.83858 0.0047 0.0047 0.0047 -2.5782
|
|
Ag 2.75444 -4.11874 1.76849 0.0012 0.0012 0.0012 -2.1796
|
|
Ag -2.31499 2.82806 2.68590 0.0005 0.0005 0.0005 -2.3888
|
|
Ag -5.06053 -1.77353 1.40647 0.0010 0.0010 0.0010 -1.8319
|
|
Ag -1.76056 -0.49622 -1.40950 -0.0008 -0.0008 -0.0008 -2.5341
|
|
Ag -1.96722 4.02385 -2.59161 0.0028 0.0028 0.0028 -2.2925
|
|
Ag 2.38933 -1.30832 1.39848 -0.0029 -0.0029 -0.0029 -2.6471
|
|
Ag 0.39474 -2.44074 2.78287 0.0017 0.0017 0.0017 -2.5078
|
|
Ag -5.88310 0.23389 -1.20151 0.0040 0.0040 0.0040 -1.9760
|
|
Ag -1.28684 -1.20870 4.91910 0.0019 0.0019 0.0019 -2.3410
|
|
Ag 0.86290 -3.08845 -3.07642 0.0028 0.0028 0.0028 -2.4400
|
|
Ag 0.24298 -5.09075 -0.00331 0.0040 0.0040 0.0040 -1.8538
|
|
Ag 3.94363 2.24060 0.64573 0.0000 0.0000 0.0000 -2.2605
|
|
Ag 3.44958 0.01137 -0.65538 0.0044 0.0044 0.0044 -2.6863
|
|
Ag -2.04560 0.28284 2.76621 0.0001 0.0001 0.0001 -2.4170
|
|
Ag -0.56555 -0.63044 0.79622 -0.0002 -0.0002 -0.0002 -2.4839
|
|
Ag -0.89070 -1.26819 -4.09983 0.0032 0.0032 0.0032 -2.4695
|
|
Ag 4.86205 -2.15857 1.00948 -0.0003 -0.0003 -0.0003 -2.3396
|
|
Ag 0.97063 0.09658 4.22143 0.0031 0.0031 0.0031 -2.6418
|
|
Ag 4.90287 1.10644 -2.69789 -0.0026 -0.0026 -0.0026 -2.0591
|
|
Ag -3.82872 1.19815 0.93894 0.0019 0.0019 0.0019 -2.5454
|
|
Ag -3.59204 2.09042 -1.82760 -0.0049 -0.0049 -0.0049 -2.4871
|
|
Ag 5.41105 -1.64733 -1.85923 0.0022 0.0022 0.0022 -2.2761
|
|
Ag 1.77592 1.46539 -3.90696 -0.0015 -0.0015 -0.0015 -2.2909
|
|
Ag 0.69713 5.33189 -1.29645 0.0004 0.0004 0.0004 -2.1818
|
|
Ag -1.85203 -3.09247 -2.25159 0.0025 0.0025 0.0025 -2.5654
|
|
Ag -1.17265 1.49823 -3.33729 0.0048 0.0048 0.0048 -2.4492
|
|
Ag -3.94187 -4.29951 -1.05744 0.0122 0.0122 0.0122 -1.9016
|
|
Ag 2.98637 0.93541 2.71836 -0.0001 -0.0001 -0.0001 -2.3962
|
|
Ag 1.15173 -2.28135 5.75237 -0.0032 -0.0032 -0.0032 -2.1826
|
|
Ag -4.05632 -1.53268 -0.84987 0.0023 0.0023 0.0023 -2.3378
|
|
Ag -1.41522 1.93590 -0.09953 0.0016 0.0016 0.0016 -2.7497
|
|
Ag -2.41311 -3.20591 0.40621 0.0040 0.0040 0.0040 -2.2976
|
|
Ag 3.18058 -1.60563 4.09689 0.0045 0.0045 0.0045 -2.2695
|
|
Ag -3.39894 -0.57200 -3.30954 0.0018 0.0018 0.0018 -2.2972
|
|
Ag -1.13414 1.59112 5.12907 0.0012 0.0012 0.0012 -2.3263
|
|
Ag 3.19472 -1.81990 -3.16657 0.0021 0.0021 0.0021 -2.3727
|
|
Ag 2.91118 2.45703 -1.79139 0.0026 0.0026 0.0026 -2.3470
|
|
Ag -3.05429 4.88621 1.23730 0.0045 0.0045 0.0045 -2.1760
|
|
Ag 2.58926 4.67075 1.13178 -0.0053 -0.0053 -0.0053 -1.9359
|
|
Ag 0.43153 -2.57510 -0.46739 -0.0042 -0.0042 -0.0042 -2.6139
|
|
Ag 1.47400 -1.39718 -5.16428 -0.0077 -0.0077 -0.0077 -2.1103
|
|
Ag 3.19829 -3.37672 -0.84372 0.0077 0.0077 0.0077 -2.5542
|
|
Ag -1.83449 6.01339 -0.77908 0.0006 0.0006 0.0006 -2.1215
|
|
Ag 0.34047 2.81894 -2.01412 0.0019 0.0019 0.0019 -2.3875
|
|
Ag 0.65686 2.58531 3.12316 0.0007 0.0007 0.0007 -2.4500
|