58 lines
5.5 KiB
Plaintext
58 lines
5.5 KiB
Plaintext
55
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -3.10281 -0.35593 -4.91332 0.0011 0.0011 0.0011 -2.2703
|
|
Ag -2.02568 -2.80254 -4.32175 -0.0021 -0.0021 -0.0021 -2.3219
|
|
Ag -3.53309 3.83228 -2.48639 0.0027 0.0027 0.0027 -2.1922
|
|
Ag -1.37628 0.33008 -2.47761 -0.0048 -0.0048 -0.0048 -2.5326
|
|
Ag -1.39136 0.32749 4.95398 -0.0009 -0.0009 -0.0009 -2.2445
|
|
Ag 0.92646 3.56921 5.80430 -0.0002 -0.0002 -0.0002 -1.8744
|
|
Ag -1.03633 3.01609 -1.75434 -0.0071 -0.0071 -0.0071 -2.6609
|
|
Ag 1.49700 -1.75022 1.80735 -0.0007 -0.0007 -0.0007 -2.6091
|
|
Ag -3.61667 -2.95437 1.66770 -0.0003 -0.0003 -0.0003 -2.3017
|
|
Ag 3.44173 1.32392 -0.78411 -0.0015 -0.0015 -0.0015 -2.3827
|
|
Ag -3.71952 1.08015 -2.44851 0.0040 0.0040 0.0040 -2.3294
|
|
Ag 1.23113 -5.30447 -4.23146 -0.0001 -0.0001 -0.0001 -1.9274
|
|
Ag -1.54200 3.67705 0.75903 0.0034 0.0034 0.0034 -2.4086
|
|
Ag -1.16433 -0.69678 2.68609 0.0019 0.0019 0.0019 -2.4175
|
|
Ag 1.93214 5.62988 1.71031 -0.0002 -0.0002 -0.0002 -2.1972
|
|
Ag -3.65735 -0.00694 2.73934 0.0108 0.0108 0.0108 -2.3358
|
|
Ag 0.43769 -3.10283 -5.51922 -0.0003 -0.0003 -0.0003 -2.0685
|
|
Ag 3.78970 3.54353 2.46384 0.0019 0.0019 0.0019 -2.3099
|
|
Ag -4.36606 -2.23916 -3.37442 0.0019 0.0019 0.0019 -1.8729
|
|
Ag -0.72390 -1.97907 -1.55574 0.0017 0.0017 0.0017 -2.4265
|
|
Ag 0.96160 -3.93708 -0.44639 0.0010 0.0010 0.0010 -2.4903
|
|
Ag -1.41212 3.21357 5.28279 0.0003 0.0003 0.0003 -1.9257
|
|
Ag -1.58810 1.90637 2.80747 0.0004 0.0004 0.0004 -2.5609
|
|
Ag -1.82008 -4.85280 2.96993 0.0012 0.0012 0.0012 -2.3667
|
|
Ag 4.17657 -0.43172 1.22561 0.0002 0.0002 0.0002 -2.4853
|
|
Ag 3.90911 4.74363 0.15539 0.0018 0.0018 0.0018 -2.1393
|
|
Ag 1.41500 1.90394 -1.99839 0.0051 0.0051 0.0051 -2.5312
|
|
Ag 2.32824 1.24341 2.34788 0.0031 0.0031 0.0031 -2.6842
|
|
Ag 2.19734 4.70124 -1.85957 -0.0048 -0.0048 -0.0048 -2.1867
|
|
Ag -0.74743 -2.79416 1.34719 -0.0027 -0.0027 -0.0027 -2.6085
|
|
Ag 3.65029 -2.95369 2.35325 0.0031 0.0031 0.0031 -2.1411
|
|
Ag -3.90769 2.06864 -5.07959 0.0012 0.0012 0.0012 -2.0005
|
|
Ag 1.20238 -0.40450 4.24280 -0.0009 -0.0009 -0.0009 -2.4867
|
|
Ag 1.29451 -2.70120 -3.16321 0.0007 0.0007 0.0007 -2.4690
|
|
Ag -1.19597 4.90285 -3.58744 -0.0061 -0.0061 -0.0061 -2.0477
|
|
Ag -3.29529 1.72345 -0.01404 -0.0068 -0.0068 -0.0068 -2.3676
|
|
Ag 3.19756 0.34576 -3.45453 -0.0067 -0.0067 -0.0067 -2.1843
|
|
Ag -1.23435 -5.42222 0.24268 0.0011 0.0011 0.0011 -2.3802
|
|
Ag 1.46124 3.18593 0.34247 -0.0066 -0.0066 -0.0066 -2.8158
|
|
Ag 0.55900 -0.23863 -4.23624 0.0001 0.0001 0.0001 -2.4100
|
|
Ag 3.08212 2.41992 4.95501 -0.0008 -0.0008 -0.0008 -2.1148
|
|
Ag 1.81004 -0.78767 -0.73082 -0.0047 -0.0047 -0.0047 -2.8094
|
|
Ag 3.92399 -0.31811 3.79207 0.0046 0.0046 0.0046 -2.2148
|
|
Ag 4.45215 -1.00140 -1.59943 -0.0042 -0.0042 -0.0042 -2.1792
|
|
Ag -2.36792 -0.55934 0.44585 0.0072 0.0072 0.0072 -2.5351
|
|
Ag -2.57774 -3.25995 -0.67538 -0.0009 -0.0009 -0.0009 -2.2934
|
|
Ag 0.68874 3.32928 2.90267 0.0014 0.0014 0.0014 -2.5882
|
|
Ag -0.54373 -4.43975 -2.36283 -0.0056 -0.0056 -0.0056 -2.2944
|
|
Ag 3.65697 -3.02799 -0.40939 0.0016 0.0016 0.0016 -2.2390
|
|
Ag 0.72114 -5.08666 1.99880 0.0012 0.0012 0.0012 -2.3040
|
|
Ag -0.04831 5.50274 -0.78927 -0.0025 -0.0025 -0.0025 -2.2874
|
|
Ag -1.04778 2.15362 -4.37686 0.0034 0.0034 0.0034 -2.4113
|
|
Ag -0.24352 0.86056 0.38062 -0.0035 -0.0035 -0.0035 -2.8495
|
|
Ag -2.93141 -2.51426 3.99215 -0.0045 -0.0045 -0.0045 -2.2817
|
|
Ag -0.05881 -2.94287 3.94196 0.0007 0.0007 0.0007 -2.4913
|