72 lines
6.9 KiB
Plaintext
72 lines
6.9 KiB
Plaintext
69
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -3.61236 0.83869 3.64186 0.0004 0.0004 0.0004 -2.5438
|
|
Ag 5.25325 -3.14825 3.39325 0.0015 0.0015 0.0015 -2.1983
|
|
Ag 4.24661 -0.02314 -2.00656 0.0007 0.0007 0.0007 -2.6649
|
|
Ag 2.89609 0.96444 3.50846 -0.0012 -0.0012 -0.0012 -2.6483
|
|
Ag -0.96462 -4.63607 -2.35652 0.0028 0.0028 0.0028 -2.3933
|
|
Ag -4.96790 0.05191 -1.21024 -0.0014 -0.0014 -0.0014 -2.5809
|
|
Ag -1.20198 2.94430 0.98914 0.0008 0.0008 0.0008 -2.8653
|
|
Ag -3.99456 -1.73402 2.40517 0.0011 0.0011 0.0011 -2.4926
|
|
Ag -2.28528 0.02920 -1.92839 0.0027 0.0027 0.0027 -2.8961
|
|
Ag -2.24764 5.21357 1.72898 -0.0046 -0.0046 -0.0046 -2.3174
|
|
Ag -5.29797 2.23424 -2.90153 -0.0015 -0.0015 -0.0015 -2.3884
|
|
Ag -1.58945 -0.34904 -4.62625 0.0005 0.0005 0.0005 -2.5733
|
|
Ag 1.31605 2.17410 1.59696 0.0004 0.0004 0.0004 -2.8728
|
|
Ag 2.98398 3.69244 3.09603 -0.0026 -0.0026 -0.0026 -2.3865
|
|
Ag -3.33340 2.41649 -1.03024 -0.0006 -0.0006 -0.0006 -2.8485
|
|
Ag -1.68844 4.87232 -0.96995 -0.0009 -0.0009 -0.0009 -2.5935
|
|
Ag -1.52014 1.14696 5.47555 0.0017 0.0017 0.0017 -2.3483
|
|
Ag 0.41047 -0.13572 -2.85719 -0.0009 -0.0009 -0.0009 -2.8933
|
|
Ag -5.64312 0.27172 1.42653 -0.0026 -0.0026 -0.0026 -2.3477
|
|
Ag 2.00782 1.68094 -1.12639 0.0008 0.0008 0.0008 -2.8864
|
|
Ag 2.50741 -4.55449 2.68870 0.0033 0.0033 0.0033 -2.3738
|
|
Ag 2.65148 -1.69275 -3.55930 0.0026 0.0026 0.0026 -2.5746
|
|
Ag 0.86207 -3.49392 0.68380 -0.0015 -0.0015 -0.0015 -2.8601
|
|
Ag -6.06933 2.31150 -0.30024 -0.0031 -0.0031 -0.0031 -2.3690
|
|
Ag 3.19021 -4.91310 0.03014 0.0038 0.0038 0.0038 -2.4463
|
|
Ag 0.78589 -0.29198 4.84009 0.0028 0.0028 0.0028 -2.5671
|
|
Ag -2.74872 2.11851 -3.87136 0.0029 0.0029 0.0029 -2.6712
|
|
Ag 1.38175 -0.74615 2.10170 -0.0019 -0.0019 -0.0019 -2.8920
|
|
Ag 0.56405 -5.93949 -0.42961 -0.0010 -0.0010 -0.0010 -2.3711
|
|
Ag -1.29746 -1.89889 1.58396 -0.0017 -0.0017 -0.0017 -2.8846
|
|
Ag 5.76337 -3.70299 0.78045 -0.0020 -0.0020 -0.0020 -2.2460
|
|
Ag 3.68330 -2.12483 1.58844 -0.0020 -0.0020 -0.0020 -2.7856
|
|
Ag -0.26414 -5.49785 2.17978 0.0031 0.0031 0.0031 -2.3721
|
|
Ag 0.07621 2.09652 -4.60169 0.0032 0.0032 0.0032 -2.5547
|
|
Ag 0.72473 2.48010 4.34797 0.0005 0.0005 0.0005 -2.5868
|
|
Ag -2.90441 0.56304 0.96214 0.0012 0.0012 0.0012 -2.8695
|
|
Ag 0.99804 4.26566 -0.21770 -0.0001 -0.0001 -0.0001 -2.6150
|
|
Ag 5.86623 -0.93300 0.33339 0.0030 0.0030 0.0030 -2.4951
|
|
Ag -1.76969 3.34742 3.74839 0.0014 0.0014 0.0014 -2.5523
|
|
Ag 3.52102 3.31381 0.29425 -0.0017 -0.0017 -0.0017 -2.5864
|
|
Ag -0.53932 -2.11369 -1.18545 -0.0008 -0.0008 -0.0008 -2.8992
|
|
Ag 2.07894 -1.27061 -0.77239 -0.0013 -0.0013 -0.0013 -2.9232
|
|
Ag 5.33144 2.45682 2.48142 -0.0000 -0.0000 -0.0000 -2.3064
|
|
Ag 5.76517 1.85068 -0.31175 -0.0009 -0.0009 -0.0009 -2.3650
|
|
Ag -1.84231 -4.40484 0.20756 0.0002 0.0002 0.0002 -2.5894
|
|
Ag -3.26294 -1.99400 -0.26064 0.0000 0.0000 0.0000 -2.6469
|
|
Ag -1.17952 4.38238 -3.75681 -0.0036 -0.0036 -0.0036 -2.3782
|
|
Ag 1.47122 3.64619 -3.06509 -0.0014 -0.0014 -0.0014 -2.4848
|
|
Ag -2.38588 -3.94955 2.92931 -0.0004 -0.0004 -0.0004 -2.3632
|
|
Ag -3.79642 4.43723 -2.90064 -0.0013 -0.0013 -0.0013 -2.3787
|
|
Ag 3.37787 -1.49316 4.48771 -0.0007 -0.0007 -0.0007 -2.3752
|
|
Ag 0.35242 -3.02525 3.53769 0.0009 0.0009 0.0009 -2.6101
|
|
Ag 2.66233 1.18494 -4.00835 0.0010 0.0010 0.0010 -2.5595
|
|
Ag -4.56140 4.62198 -0.27561 0.0020 0.0020 0.0020 -2.3490
|
|
Ag -2.70695 -2.60798 -3.10738 -0.0026 -0.0026 -0.0026 -2.4903
|
|
Ag -4.05041 2.88625 1.80572 -0.0045 -0.0045 -0.0045 -2.6401
|
|
Ag 4.11152 2.82741 -2.40276 0.0005 0.0005 0.0005 -2.3731
|
|
Ag -4.24132 -0.36869 -3.87221 -0.0014 -0.0014 -0.0014 -2.3601
|
|
Ag -0.06821 -2.64947 -4.07737 -0.0002 -0.0002 -0.0002 -2.5683
|
|
Ag 4.29397 -2.76496 -1.36951 0.0042 0.0042 0.0042 -2.5497
|
|
Ag 1.69429 -3.87261 -2.09547 -0.0000 -0.0000 -0.0000 -2.6572
|
|
Ag 3.65707 0.60117 0.89063 -0.0018 -0.0018 -0.0018 -2.8894
|
|
Ag 0.48558 4.67849 2.57600 -0.0008 -0.0008 -0.0008 -2.4847
|
|
Ag -1.85032 -1.37565 4.37408 0.0026 0.0026 0.0026 -2.5684
|
|
Ag -0.27719 0.37744 0.00469 -0.0026 -0.0026 -0.0026 -2.9348
|
|
Ag 1.06383 -0.45124 -5.51144 -0.0051 -0.0051 -0.0051 -2.3426
|
|
Ag 5.34890 -0.38114 2.95418 -0.0039 -0.0039 -0.0039 -2.5029
|
|
Ag -0.68783 2.42237 -1.89303 -0.0010 -0.0010 -0.0010 -2.9087
|
|
Ag -0.94890 0.72228 2.76995 0.0020 0.0020 0.0020 -2.8960
|