51 lines
4.8 KiB
Plaintext
51 lines
4.8 KiB
Plaintext
48
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -4.19473 -1.74047 2.46322 -0.0020 -0.0020 -0.0020 -2.3903
|
|
Ag 1.82446 2.03059 1.30076 -0.0022 -0.0022 -0.0022 -2.9353
|
|
Ag -3.63529 -3.31764 0.13769 0.0007 0.0007 0.0007 -2.5372
|
|
Ag -2.00608 2.87761 2.32949 0.0026 0.0026 0.0026 -2.2928
|
|
Ag 3.80193 -1.64029 0.35791 -0.0007 -0.0007 -0.0007 -2.5606
|
|
Ag 1.42554 -0.98755 4.20176 0.0014 0.0014 0.0014 -2.4315
|
|
Ag 0.34620 3.80361 2.80764 0.0027 0.0027 0.0027 -2.4457
|
|
Ag 4.42845 -0.64230 -2.36553 -0.0037 -0.0037 -0.0037 -2.3054
|
|
Ag -1.00787 -4.19595 0.44214 0.0009 0.0009 0.0009 -2.5680
|
|
Ag -2.89726 2.03773 -1.37279 -0.0005 -0.0005 -0.0005 -2.5287
|
|
Ag -2.39986 -3.67493 2.86833 0.0021 0.0021 0.0021 -2.3073
|
|
Ag -0.18549 0.99473 3.08628 0.0012 0.0012 0.0012 -2.7489
|
|
Ag -2.59138 -0.83805 -1.21634 -0.0002 -0.0002 -0.0002 -2.9250
|
|
Ag -0.86090 0.89069 0.15952 0.0034 0.0034 0.0034 -2.9075
|
|
Ag -4.91094 0.35334 -1.98546 -0.0018 -0.0018 -0.0018 -2.3330
|
|
Ag 1.07994 2.24163 -4.17614 0.0006 0.0006 0.0006 -2.3575
|
|
Ag -2.99352 0.52920 3.51865 -0.0012 -0.0012 -0.0012 -2.3472
|
|
Ag 1.82034 0.07905 -1.08234 0.0009 0.0009 0.0009 -2.8561
|
|
Ag -4.67323 -2.52162 -2.39611 0.0005 0.0005 0.0005 -2.3292
|
|
Ag 0.98753 2.81082 -1.42956 -0.0031 -0.0031 -0.0031 -2.7459
|
|
Ag -1.21004 -1.30340 4.36802 0.0019 0.0019 0.0019 -2.3834
|
|
Ag -2.77885 -1.96729 -4.29485 0.0009 0.0009 0.0009 -2.3120
|
|
Ag 2.34322 2.17811 3.98534 -0.0010 -0.0010 -0.0010 -2.4143
|
|
Ag 1.76175 -3.59219 0.45513 0.0029 0.0029 0.0029 -2.5852
|
|
Ag -1.26766 3.00152 -3.23732 0.0009 0.0009 0.0009 -2.3021
|
|
Ag 3.51121 3.55241 -0.17768 -0.0006 -0.0006 -0.0006 -2.4475
|
|
Ag 0.00612 -2.17964 -3.63340 -0.0028 -0.0028 -0.0028 -2.6015
|
|
Ag 1.16790 -0.92143 1.41736 0.0021 0.0021 0.0021 -2.8918
|
|
Ag -5.32713 -1.20157 0.12987 0.0011 0.0011 0.0011 -2.2949
|
|
Ag 3.54481 0.03462 2.62878 -0.0034 -0.0034 -0.0034 -2.5827
|
|
Ag -3.66611 0.60239 0.88721 0.0025 0.0025 0.0025 -2.5762
|
|
Ag 0.24888 -3.15321 2.74890 0.0027 0.0027 0.0027 -2.5821
|
|
Ag -0.00830 -1.88421 -0.82763 -0.0007 -0.0007 -0.0007 -2.8718
|
|
Ag -0.90546 3.97713 0.18722 -0.0027 -0.0027 -0.0027 -2.3502
|
|
Ag 3.35400 1.92994 -2.62369 -0.0026 -0.0026 -0.0026 -2.4537
|
|
Ag 4.31790 1.02210 0.00499 0.0027 0.0027 0.0027 -2.5699
|
|
Ag -1.55311 -1.34959 1.57605 0.0033 0.0033 0.0033 -2.9278
|
|
Ag 1.40045 5.07689 0.51791 -0.0048 -0.0048 -0.0048 -2.2722
|
|
Ag 2.48798 -2.43838 -2.08201 0.0024 0.0024 0.0024 -2.5781
|
|
Ag 2.97608 -2.72321 2.78039 -0.0010 -0.0010 -0.0010 -2.3438
|
|
Ag 0.54592 -4.50050 -1.98928 -0.0010 -0.0010 -0.0010 -2.3162
|
|
Ag -2.93259 0.74287 -3.86814 -0.0003 -0.0003 -0.0003 -2.4742
|
|
Ag -2.03465 -3.49001 -2.16132 0.0015 0.0015 0.0015 -2.5672
|
|
Ag -0.63036 0.01843 -5.16516 -0.0024 -0.0024 -0.0024 -2.2997
|
|
Ag 2.96637 4.59522 2.64913 0.0020 0.0020 0.0020 -2.2841
|
|
Ag 2.21631 -0.14441 -3.67663 0.0006 0.0006 0.0006 -2.4751
|
|
Ag 4.55808 2.53966 2.28918 -0.0020 -0.0020 -0.0020 -2.3318
|
|
Ag -0.47964 0.45848 -2.56657 -0.0007 -0.0007 -0.0007 -2.8449
|