70 lines
6.7 KiB
Plaintext
70 lines
6.7 KiB
Plaintext
67
|
|
Ag Ag pos(A), vel, pot-en(eV)
|
|
Ag -0.74220 -0.74133 -6.80708 0.0004 0.0004 0.0004 -1.6713
|
|
Ag -3.98171 -0.11047 3.77761 -0.0005 -0.0005 -0.0005 -2.0019
|
|
Ag -0.58910 -1.59241 8.52804 -0.0025 -0.0025 -0.0025 -1.7768
|
|
Ag -2.59599 -2.56262 -3.29011 0.0058 0.0058 0.0058 -2.2211
|
|
Ag 5.15059 5.30753 -1.47312 0.0042 0.0042 0.0042 -1.7399
|
|
Ag -3.52220 -3.34699 -1.07090 -0.0023 -0.0023 -0.0023 -2.5357
|
|
Ag -1.03593 -0.77166 -0.85574 0.0086 0.0086 0.0086 -2.8150
|
|
Ag 3.04383 6.54439 -1.27496 -0.0015 -0.0015 -0.0015 -2.1309
|
|
Ag -1.03861 -4.13704 -2.10661 -0.0025 -0.0025 -0.0025 -2.5837
|
|
Ag 1.66180 -0.14061 -4.65046 0.0045 0.0045 0.0045 -2.3769
|
|
Ag 4.06169 -4.29235 -2.06827 0.0076 0.0076 0.0076 -2.1250
|
|
Ag 3.91597 -1.29283 0.07057 -0.0005 -0.0005 -0.0005 -2.3639
|
|
Ag -0.79747 6.18223 -2.91656 0.0019 0.0019 0.0019 -2.2094
|
|
Ag 0.38097 -3.05265 3.05005 0.0014 0.0014 0.0014 -2.4767
|
|
Ag 0.05592 3.58596 2.63135 -0.0020 -0.0020 -0.0020 -2.4972
|
|
Ag -3.26274 -5.71370 -2.25522 -0.0008 -0.0008 -0.0008 -2.2723
|
|
Ag 2.16352 3.19134 -1.43009 -0.0046 -0.0046 -0.0046 -2.5657
|
|
Ag -0.76775 -6.85048 -1.48682 0.0033 0.0033 0.0033 -2.2949
|
|
Ag 1.81917 -5.97224 -1.96424 -0.0014 -0.0014 -0.0014 -2.4023
|
|
Ag 0.92764 0.72749 2.43058 -0.0054 -0.0054 -0.0054 -2.7473
|
|
Ag 0.13890 -6.73960 1.27638 -0.0061 -0.0061 -0.0061 -2.0067
|
|
Ag -2.61038 3.45289 3.63500 0.0007 0.0007 0.0007 -2.0221
|
|
Ag -1.67962 1.36292 2.74603 -0.0018 -0.0018 -0.0018 -2.5335
|
|
Ag -2.13288 -5.45646 0.37827 -0.0003 -0.0003 -0.0003 -2.5431
|
|
Ag 4.16626 5.72745 1.20165 0.0035 0.0035 0.0035 -2.1023
|
|
Ag 1.63381 -3.32281 -2.14401 -0.0066 -0.0066 -0.0066 -2.4716
|
|
Ag -2.72235 1.37251 -2.25080 -0.0008 -0.0008 -0.0008 -2.3871
|
|
Ag 1.61988 4.03633 -3.83537 -0.0019 -0.0019 -0.0019 -2.4159
|
|
Ag -3.48369 -2.64144 4.16445 -0.0000 -0.0000 -0.0000 -2.1092
|
|
Ag 1.75555 6.79350 -3.57398 0.0016 0.0016 0.0016 -1.9737
|
|
Ag -2.73359 4.67752 -1.80588 -0.0024 -0.0024 -0.0024 -2.1818
|
|
Ag 1.60808 -1.08644 4.25413 -0.0082 -0.0082 -0.0082 -2.5058
|
|
Ag -1.15395 3.65557 -3.86414 0.0038 0.0038 0.0038 -2.6245
|
|
Ag 0.37291 -4.42479 0.17496 -0.0048 -0.0048 -0.0048 -2.6588
|
|
Ag -4.70251 -2.40614 1.32416 -0.0017 -0.0017 -0.0017 -2.2152
|
|
Ag 0.63870 2.19515 -5.41521 0.0083 0.0083 0.0083 -2.2753
|
|
Ag -0.16291 1.89288 0.18695 0.0022 0.0022 0.0022 -2.7386
|
|
Ag 3.99169 1.48768 -0.36093 0.0030 0.0030 0.0030 -2.3047
|
|
Ag -2.68357 2.91392 0.32797 -0.0056 -0.0056 -0.0056 -2.3578
|
|
Ag 2.81364 1.86402 4.54501 -0.0044 -0.0044 -0.0044 -2.1886
|
|
Ag -2.71221 1.10679 5.22041 -0.0031 -0.0031 -0.0031 -2.0558
|
|
Ag -2.75034 -1.35290 6.31469 -0.0054 -0.0054 -0.0054 -2.3441
|
|
Ag -3.92094 -0.55022 -1.50481 0.0007 0.0007 0.0007 -1.8576
|
|
Ag 3.18913 1.78701 -3.59875 -0.0007 -0.0007 -0.0007 -2.3728
|
|
Ag 0.23233 2.26530 4.97186 -0.0006 -0.0006 -0.0006 -2.4288
|
|
Ag 3.08983 3.09872 2.21536 -0.0012 -0.0012 -0.0012 -2.3882
|
|
Ag 1.40466 7.18655 0.49581 -0.0006 -0.0006 -0.0006 -1.8860
|
|
Ag 3.83669 0.37135 2.64528 -0.0018 -0.0018 -0.0018 -2.3089
|
|
Ag 3.74390 -0.68288 -2.67687 0.0029 0.0029 0.0029 -2.2928
|
|
Ag -0.91942 -0.74793 4.22070 0.0051 0.0051 0.0051 -2.7097
|
|
Ag 1.63126 -0.00514 -1.22690 0.0022 0.0022 0.0022 -2.7135
|
|
Ag -0.00442 1.31351 -2.87470 0.0072 0.0072 0.0072 -2.7971
|
|
Ag -1.72251 -2.59170 1.29865 0.0017 0.0017 0.0017 -2.6638
|
|
Ag -3.45118 4.46259 -5.21880 -0.0026 -0.0026 -0.0026 -1.7610
|
|
Ag 3.06902 -2.70200 2.21281 -0.0003 -0.0003 -0.0003 -2.2742
|
|
Ag -2.05823 -0.45619 -4.59345 -0.0024 -0.0024 -0.0024 -2.3499
|
|
Ag 0.98482 -1.72367 0.74646 -0.0035 -0.0035 -0.0035 -2.6885
|
|
Ag -0.41392 4.35196 -0.99770 -0.0064 -0.0064 -0.0064 -2.4544
|
|
Ag 1.52443 4.65648 0.66658 -0.0041 -0.0041 -0.0041 -2.3627
|
|
Ag -3.37388 1.82269 -4.80283 0.0005 0.0005 0.0005 -2.1367
|
|
Ag -4.98886 -5.32746 -0.02114 -0.0038 -0.0038 -0.0038 -1.9601
|
|
Ag 0.05957 -2.66543 5.92148 0.0001 0.0001 0.0001 -2.3115
|
|
Ag 2.96405 -5.26474 0.32417 -0.0002 -0.0002 -0.0002 -2.3419
|
|
Ag -0.01441 0.08623 6.58933 0.0043 0.0043 0.0043 -2.4040
|
|
Ag -3.32686 -0.24924 0.66133 -0.0060 -0.0060 -0.0060 -2.1659
|
|
Ag 4.48668 -6.72553 -1.37768 -0.0037 -0.0037 -0.0037 -1.8897
|
|
Ag 0.01833 -1.68154 -3.31508 0.0008 0.0008 0.0008 -2.5369
|