42 lines
3.9 KiB
Plaintext
42 lines
3.9 KiB
Plaintext
39
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 1.81515 1.15178 4.42448 0.0011 0.0011 0.0011 -2.3493
|
|
Ag -3.63037 -0.25681 -0.67275 0.0016 0.0016 0.0016 -2.5542
|
|
Ag 1.04413 2.05093 -2.90553 -0.0009 -0.0009 -0.0009 -2.4886
|
|
Ag 3.12450 2.72572 -0.58705 0.0000 0.0000 0.0000 -2.2430
|
|
Ag 3.94763 -2.59834 1.01763 0.0012 0.0012 0.0012 -2.3691
|
|
Ag 1.49662 -1.82422 -0.20404 -0.0007 -0.0007 -0.0007 -2.8309
|
|
Ag -3.16701 -2.67007 0.77910 0.0004 0.0004 0.0004 -2.3128
|
|
Ag -1.13819 -2.19239 2.69401 -0.0001 -0.0001 -0.0001 -2.5782
|
|
Ag -1.18254 -1.02183 0.12852 -0.0005 -0.0005 -0.0005 -2.8525
|
|
Ag 0.20952 -0.61018 -2.25883 -0.0020 -0.0020 -0.0020 -2.7665
|
|
Ag -1.65455 4.23544 1.52592 0.0003 0.0003 0.0003 -2.3670
|
|
Ag 1.81353 2.13826 1.77856 0.0016 0.0016 0.0016 -2.5406
|
|
Ag -2.82133 2.54100 3.28855 -0.0006 -0.0006 -0.0006 -2.3105
|
|
Ag -2.44717 -0.19293 -3.40769 -0.0020 -0.0020 -0.0020 -2.5310
|
|
Ag -1.39635 1.49514 -1.24849 -0.0000 -0.0000 -0.0000 -2.7317
|
|
Ag -2.09772 -2.59534 -1.92018 0.0006 0.0006 0.0006 -2.5335
|
|
Ag -3.02385 -0.06030 2.13535 -0.0007 -0.0007 -0.0007 -2.5805
|
|
Ag -3.90953 2.11545 -2.33095 -0.0016 -0.0016 -0.0016 -2.3108
|
|
Ag 0.59668 -3.47184 -2.34343 -0.0033 -0.0033 -0.0033 -2.5550
|
|
Ag -0.52530 -3.68408 0.29902 0.0001 0.0001 0.0001 -2.5752
|
|
Ag 2.18688 -4.50087 -0.20701 -0.0007 -0.0007 -0.0007 -2.3251
|
|
Ag 0.60950 3.77331 -0.07259 -0.0003 -0.0003 -0.0003 -2.4985
|
|
Ag 2.88686 0.04619 -2.33186 0.0014 0.0014 0.0014 -2.5300
|
|
Ag -0.93981 0.38546 4.04609 -0.0036 -0.0036 -0.0036 -2.5575
|
|
Ag -0.99222 1.62795 1.32834 -0.0011 -0.0011 -0.0011 -2.7984
|
|
Ag 1.88311 -1.76142 -4.08961 0.0027 0.0027 0.0027 -2.3579
|
|
Ag 1.04783 -1.54905 4.55409 -0.0006 -0.0006 -0.0006 -2.3245
|
|
Ag 0.94831 -0.33081 2.14575 0.0020 0.0020 0.0020 -2.8482
|
|
Ag -0.06659 0.22419 -4.75478 0.0022 0.0022 0.0022 -2.3459
|
|
Ag 1.42425 -3.23604 2.18229 -0.0009 -0.0009 -0.0009 -2.5467
|
|
Ag -3.62386 2.22226 0.43457 -0.0003 -0.0003 -0.0003 -2.5491
|
|
Ag -2.09785 4.01934 -1.13348 0.0022 0.0022 0.0022 -2.3777
|
|
Ag 3.37192 -0.85921 3.14108 -0.0008 -0.0008 -0.0008 -2.3468
|
|
Ag 1.04657 0.99041 -0.42649 -0.0012 -0.0012 -0.0012 -2.5908
|
|
Ag -0.92936 -2.31632 -4.30238 0.0013 0.0013 0.0013 -2.3359
|
|
Ag -0.18566 2.90221 3.47351 -0.0007 -0.0007 -0.0007 -2.3854
|
|
Ag -1.37999 2.87322 -3.52441 -0.0053 -0.0053 -0.0053 -2.2674
|
|
Ag 3.64148 -2.48020 -1.73973 -0.0011 -0.0011 -0.0011 -2.3624
|
|
Ag 3.40747 -0.01335 0.37712 -0.0000 -0.0000 -0.0000 -2.5944
|