43 lines
4.0 KiB
Plaintext
43 lines
4.0 KiB
Plaintext
40
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag 0.85244 -3.36941 -3.05429 -0.0011 -0.0011 -0.0011 -2.2758
|
|
Ag -1.01014 3.29027 -3.21839 -0.0006 -0.0006 -0.0006 -2.2396
|
|
Ag -1.14670 -1.22887 5.34418 0.0004 0.0004 0.0004 -1.9570
|
|
Ag 4.31060 1.95769 -1.38772 0.0026 0.0026 0.0026 -2.2610
|
|
Ag 3.46588 -3.56431 -2.18881 -0.0043 -0.0043 -0.0043 -1.9752
|
|
Ag -0.24901 2.08219 -0.63411 0.0025 0.0025 0.0025 -2.6470
|
|
Ag 3.95600 -0.54825 -0.49582 -0.0048 -0.0048 -0.0048 -2.4388
|
|
Ag -1.90348 -0.82110 2.56948 -0.0053 -0.0053 -0.0053 -2.6714
|
|
Ag -0.36460 1.18251 1.87982 0.0005 0.0005 0.0005 -2.6446
|
|
Ag 0.64863 -0.86170 3.49284 0.0025 0.0025 0.0025 -2.2604
|
|
Ag 2.07343 1.18341 0.18425 0.0021 0.0021 0.0021 -2.6701
|
|
Ag 2.19549 -1.27929 1.45847 -0.0014 -0.0014 -0.0014 -2.4428
|
|
Ag -3.38652 -3.67112 -2.95397 0.0057 0.0057 0.0057 -1.9210
|
|
Ag -4.15570 -3.93100 1.84445 -0.0021 -0.0021 -0.0021 -2.0115
|
|
Ag 1.11690 0.02740 -2.44864 -0.0042 -0.0042 -0.0042 -2.7278
|
|
Ag -2.88925 1.59919 3.04221 -0.0020 -0.0020 -0.0020 -2.2902
|
|
Ag 0.48201 -0.93453 -4.99022 -0.0009 -0.0009 -0.0009 -2.2187
|
|
Ag -1.16196 -3.52700 -1.19182 -0.0016 -0.0016 -0.0016 -2.4861
|
|
Ag -3.05798 2.12314 -1.76907 0.0010 0.0010 0.0010 -2.3058
|
|
Ag -1.69034 0.43419 -3.85504 -0.0040 -0.0040 -0.0040 -2.4112
|
|
Ag 3.67764 -0.93657 -2.99221 0.0052 0.0052 0.0052 -2.2396
|
|
Ag 1.71853 -3.26002 -0.26625 -0.0050 -0.0050 -0.0050 -2.3005
|
|
Ag -4.34334 -2.77707 4.38436 0.0077 0.0077 0.0077 -1.9312
|
|
Ag 2.17238 3.47500 -1.44053 -0.0002 -0.0002 -0.0002 -2.3106
|
|
Ag -1.17908 4.51234 -0.94637 0.0022 0.0022 0.0022 -2.1688
|
|
Ag -2.55661 2.72342 0.59920 -0.0003 -0.0003 -0.0003 -2.2239
|
|
Ag -1.39930 -2.12013 -3.47793 -0.0021 -0.0021 -0.0021 -2.3183
|
|
Ag -3.41508 -1.02349 -2.20000 -0.0007 -0.0007 -0.0007 -2.3481
|
|
Ag -3.68944 0.54136 0.41566 0.0030 0.0030 0.0030 -2.3817
|
|
Ag 0.97440 3.72258 1.14076 -0.0025 -0.0025 -0.0025 -2.3116
|
|
Ag -0.27814 -1.05314 -0.11290 -0.0033 -0.0033 -0.0033 -2.7808
|
|
Ag 5.35652 -0.76088 1.87625 0.0015 0.0015 0.0015 -1.8366
|
|
Ag -3.03436 -2.00291 0.30089 0.0039 0.0039 0.0039 -2.5484
|
|
Ag 2.21040 1.67122 2.67103 -0.0001 -0.0001 -0.0001 -2.2911
|
|
Ag 3.17700 1.60825 -3.66942 -0.0001 -0.0001 -0.0001 -2.2273
|
|
Ag 4.72390 1.78131 1.51371 0.0037 0.0037 0.0037 -2.1688
|
|
Ag 0.64417 1.89674 -4.75258 -0.0010 -0.0010 -0.0010 -2.2131
|
|
Ag -3.35850 -0.01238 5.06627 -0.0023 -0.0023 -0.0023 -2.0895
|
|
Ag -4.71335 -1.09245 2.41366 -0.0014 -0.0014 -0.0014 -2.3514
|
|
Ag -1.08695 -3.35015 1.53504 0.0007 0.0007 0.0007 -2.3077
|