61 lines
5.8 KiB
Plaintext
61 lines
5.8 KiB
Plaintext
58
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 3.92630 1.80004 -2.79540 -0.0018 -0.0018 -0.0018 -2.4114
|
|
Ag -2.81631 0.74794 -3.25151 0.0007 0.0007 0.0007 -2.5135
|
|
Ag -5.23057 0.73321 -1.82617 0.0021 0.0021 0.0021 -2.3139
|
|
Ag 2.61136 -0.34982 4.02083 0.0025 0.0025 0.0025 -2.5455
|
|
Ag -0.63517 2.30127 -1.11492 -0.0003 -0.0003 -0.0003 -2.8733
|
|
Ag 4.62242 0.74693 -0.04840 -0.0008 -0.0008 -0.0008 -2.5175
|
|
Ag -3.12365 3.03467 -1.72607 0.0006 0.0006 0.0006 -2.5328
|
|
Ag -2.14379 -0.94614 4.55140 -0.0019 -0.0019 -0.0019 -2.5210
|
|
Ag 3.50223 -2.43648 -4.78488 -0.0017 -0.0017 -0.0017 -2.2440
|
|
Ag -0.44913 4.06720 2.61005 -0.0012 -0.0012 -0.0012 -2.5571
|
|
Ag -2.82118 0.29485 -0.70041 -0.0003 -0.0003 -0.0003 -2.7877
|
|
Ag 3.99264 0.13540 -5.05397 -0.0007 -0.0007 -0.0007 -2.2206
|
|
Ag -3.36827 3.63660 2.72548 0.0005 0.0005 0.0005 -2.2810
|
|
Ag -0.89255 4.85175 -2.19596 0.0012 0.0012 0.0012 -2.3164
|
|
Ag 1.57480 3.43905 -2.48758 -0.0006 -0.0006 -0.0006 -2.5584
|
|
Ag 2.78192 -2.82953 2.51002 0.0003 0.0003 0.0003 -2.5733
|
|
Ag -5.04270 -0.82048 0.47293 -0.0009 -0.0009 -0.0009 -2.5157
|
|
Ag -0.41664 -0.12028 -2.48945 -0.0021 -0.0021 -0.0021 -2.8232
|
|
Ag -1.18501 -4.60248 0.51820 0.0007 0.0007 0.0007 -2.5792
|
|
Ag 1.53912 0.82320 -4.12139 0.0049 0.0049 0.0049 -2.7299
|
|
Ag 0.37668 0.31058 5.66923 -0.0002 -0.0002 -0.0002 -2.3203
|
|
Ag 2.45898 -0.20345 1.39273 -0.0012 -0.0012 -0.0012 -2.8175
|
|
Ag 1.92385 0.94683 -1.23196 0.0006 0.0006 0.0006 -2.8838
|
|
Ag 1.66558 -4.27015 0.24087 0.0033 0.0033 0.0033 -2.5379
|
|
Ag -2.23437 -0.82686 1.83680 0.0005 0.0005 0.0005 -2.7456
|
|
Ag 1.06807 2.16228 1.21947 -0.0032 -0.0032 -0.0032 -2.8544
|
|
Ag -4.31482 -1.84786 3.07210 0.0004 0.0004 0.0004 -2.3253
|
|
Ag -2.85252 -4.25640 -1.81082 -0.0010 -0.0010 -0.0010 -2.3361
|
|
Ag -0.85051 2.41240 -3.83283 0.0011 0.0011 0.0011 -2.5094
|
|
Ag -1.40448 2.07796 4.33504 -0.0020 -0.0020 -0.0020 -2.5425
|
|
Ag -1.75965 1.90560 1.50411 -0.0006 -0.0006 -0.0006 -2.8882
|
|
Ag 0.73139 4.58847 -0.04650 0.0015 0.0015 0.0015 -2.5758
|
|
Ag -0.20850 0.00820 0.21763 0.0017 0.0017 0.0017 -2.5733
|
|
Ag -3.89295 0.86976 3.11183 0.0048 0.0048 0.0048 -2.5141
|
|
Ag -4.55653 1.96759 0.46689 -0.0001 -0.0001 -0.0001 -2.4884
|
|
Ag 0.58838 -2.16646 4.42313 0.0010 0.0010 0.0010 -2.5240
|
|
Ag 0.86763 -2.11032 -3.95828 0.0009 0.0009 0.0009 -2.7081
|
|
Ag 1.34499 2.24054 3.93703 0.0013 0.0013 0.0013 -2.5956
|
|
Ag -0.02586 0.02015 2.89462 -0.0009 -0.0009 -0.0009 -2.8269
|
|
Ag -0.07027 -4.00033 -2.06056 -0.0002 -0.0002 -0.0002 -2.5717
|
|
Ag -1.89827 -3.42141 2.94871 -0.0017 -0.0017 -0.0017 -2.5603
|
|
Ag -1.44043 -2.05384 -0.61282 -0.0031 -0.0031 -0.0031 -2.7918
|
|
Ag -3.72927 -3.25598 0.59891 -0.0007 -0.0007 -0.0007 -2.5392
|
|
Ag 2.49837 -3.93327 -2.64404 -0.0020 -0.0020 -0.0020 -2.3162
|
|
Ag 1.56184 -1.00526 -6.32682 0.0009 0.0009 0.0009 -2.2008
|
|
Ag 4.01810 -2.17077 0.07399 0.0016 0.0016 0.0016 -2.4746
|
|
Ag 3.27470 3.22047 -0.19066 0.0022 0.0022 0.0022 -2.5698
|
|
Ag 3.85599 1.99568 2.49601 0.0008 0.0008 0.0008 -2.4935
|
|
Ag 2.36835 4.31060 2.21661 -0.0013 -0.0013 -0.0013 -2.3407
|
|
Ag -0.85749 -0.24100 -5.24300 0.0024 0.0024 0.0024 -2.4329
|
|
Ag 1.43903 -1.83231 -0.97448 -0.0019 -0.0019 -0.0019 -2.8917
|
|
Ag -1.96535 4.51348 0.46691 -0.0021 -0.0021 -0.0021 -2.4835
|
|
Ag -4.27651 -1.91335 -2.06859 0.0020 0.0020 0.0020 -2.4587
|
|
Ag 0.22749 -2.39159 1.52494 -0.0054 -0.0054 -0.0054 -2.8341
|
|
Ag 4.84348 -0.86901 2.23286 0.0006 0.0006 0.0006 -2.2977
|
|
Ag 0.56698 -4.76940 2.75438 -0.0044 -0.0044 -0.0044 -2.3014
|
|
Ag -1.86931 -2.17698 -3.50055 -0.0021 -0.0021 -0.0021 -2.5662
|
|
Ag 3.52115 -0.92174 -2.52595 -0.0013 -0.0013 -0.0013 -2.6667
|