70 lines
6.7 KiB
Plaintext
70 lines
6.7 KiB
Plaintext
67
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Ag Ag pos(A), vel, pot-en(eV)
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Ag -3.00120 6.67305 5.36902 0.0000 0.0000 0.0000 -2.8043
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Ag 0.36812 3.91386 5.32544 0.0018 0.0018 0.0018 -2.8906
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Ag -2.32339 4.12773 6.08110 0.0030 0.0030 0.0030 -2.8299
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Ag -2.71010 7.66203 2.85619 -0.0018 -0.0018 -0.0018 -2.8312
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Ag -5.48470 6.60013 3.72100 -0.0030 -0.0030 -0.0030 -2.8886
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Ag -3.30278 6.15837 8.08885 -0.0006 -0.0006 -0.0006 -2.9249
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Ag -2.19934 2.41324 3.96117 0.0014 0.0014 0.0014 -2.7689
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Ag -4.00817 9.22926 4.70649 -0.0005 -0.0005 -0.0005 -2.7928
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Ag -3.23213 4.76537 3.13852 0.0007 0.0007 0.0007 -2.8106
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Ag -1.18951 8.75379 4.96848 0.0010 0.0010 0.0010 -2.9225
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Ag -0.57025 6.13193 4.01036 0.0011 0.0011 0.0011 -2.8257
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Ag -4.99042 4.81650 6.16926 0.0000 0.0000 0.0000 -2.8314
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Ag -4.97026 2.98402 4.13662 0.0012 0.0012 0.0012 -2.8694
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Ag 1.57526 2.01313 6.91166 0.0043 0.0043 0.0043 -2.3454
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Ag -3.98437 2.28043 7.06277 0.0018 0.0018 0.0018 -2.6442
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Ag -2.96064 5.80119 0.67969 -0.0007 -0.0007 -0.0007 -2.5033
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Ag -7.80402 6.47375 2.08033 -0.0010 -0.0010 -0.0010 -2.3149
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Ag -3.67528 11.55509 6.75544 -0.0011 -0.0011 -0.0011 -2.4756
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Ag -1.26015 1.11862 1.92495 0.0030 0.0030 0.0030 -2.3131
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Ag -6.19289 9.33330 3.20793 -0.0010 -0.0010 -0.0010 -2.5052
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Ag -5.60824 4.71526 1.73869 -0.0006 -0.0006 -0.0006 -2.6754
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Ag 2.49549 4.46985 7.12679 0.0007 0.0007 0.0007 -2.3372
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Ag 2.16377 5.42545 3.37486 -0.0036 -0.0036 -0.0036 -2.3418
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Ag 1.36836 6.76293 8.47571 0.0018 0.0018 0.0018 -2.4381
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Ag -7.62208 2.02187 4.18301 0.0020 0.0020 0.0020 -2.3794
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Ag -0.73093 8.68321 8.73463 -0.0029 -0.0029 -0.0029 -2.6170
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Ag -2.98814 8.78318 7.12682 -0.0005 -0.0005 -0.0005 -2.8390
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Ag -3.08881 8.25980 10.15487 0.0013 0.0013 0.0013 -2.4861
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Ag 0.09059 1.02837 4.64217 0.0008 0.0008 0.0008 -2.4529
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Ag -1.22481 1.74886 6.89479 0.0010 0.0010 0.0010 -2.5736
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Ag -0.77047 6.57435 6.90386 -0.0002 -0.0002 -0.0002 -2.8636
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Ag -0.88673 11.00156 7.03661 0.0010 0.0010 0.0010 -2.5362
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Ag 3.04336 3.23966 4.89383 0.0003 0.0003 0.0003 -2.2516
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Ag 0.85922 2.81658 2.76234 -0.0018 -0.0018 -0.0018 -2.3948
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Ag 1.60831 6.52771 5.70629 0.0018 0.0018 0.0018 -2.5608
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Ag 0.05364 4.19177 8.11816 0.0031 0.0031 0.0031 -2.6525
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Ag -5.36269 7.60502 6.62242 0.0031 0.0031 0.0031 -2.8647
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Ag -5.79348 6.87521 9.20352 -0.0016 -0.0016 -0.0016 -2.5565
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Ag -2.76744 0.13936 5.30214 0.0002 0.0002 0.0002 -2.3710
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Ag -7.39675 5.56887 7.24557 -0.0010 -0.0010 -0.0010 -2.5279
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Ag -1.17894 3.87381 1.50095 0.0012 0.0012 0.0012 -2.4734
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Ag -4.96191 11.67522 4.12430 -0.0009 -0.0009 -0.0009 -2.3293
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Ag -5.13370 7.54892 1.15751 0.0044 0.0044 0.0044 -2.5259
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Ag -3.61411 2.69169 1.22269 0.0016 0.0016 0.0016 -2.5539
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Ag -2.61516 8.37276 0.11219 0.0020 0.0020 0.0020 -2.2858
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Ag -2.12049 11.32884 4.46853 0.0001 0.0001 0.0001 -2.5715
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Ag -2.57023 3.60772 8.98578 -0.0007 -0.0007 -0.0007 -2.5482
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Ag -0.32750 7.02077 1.55614 -0.0012 -0.0012 -0.0012 -2.4434
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Ag -4.01363 0.50201 2.85591 -0.0005 -0.0005 -0.0005 -2.4649
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Ag -7.77531 7.47672 4.95676 0.0046 0.0046 0.0046 -2.4913
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Ag -6.49815 9.95912 5.80722 0.0016 0.0016 0.0016 -2.5204
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Ag -7.27642 4.75364 4.53249 0.0001 0.0001 0.0001 -2.6970
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Ag -8.08248 3.87278 2.15352 -0.0006 -0.0006 -0.0006 -2.2475
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Ag -5.20130 9.66972 8.47605 0.0009 0.0009 0.0009 -2.5317
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Ag -6.11166 2.03339 1.89319 0.0019 0.0019 0.0019 -2.3933
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Ag 1.21624 8.30614 3.62991 -0.0038 -0.0038 -0.0038 -2.5458
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Ag -0.98247 9.55499 2.25693 0.0023 0.0023 0.0023 -2.5162
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Ag -6.69296 2.85053 6.71381 0.0003 0.0003 0.0003 -2.5152
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Ag -5.23729 4.21863 8.86433 -0.0002 -0.0002 -0.0002 -2.5626
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Ag -3.60742 5.61269 10.80716 0.0022 0.0022 0.0022 -2.3172
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Ag -2.74437 10.70331 9.10869 0.0029 0.0029 0.0029 -2.3351
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Ag -5.44536 0.62427 5.34990 -0.0029 -0.0029 -0.0029 -2.3911
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Ag -7.52722 8.58583 7.99654 0.0031 0.0031 0.0031 -2.2620
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Ag -1.02306 6.09918 9.79318 0.0005 0.0005 0.0005 -2.5436
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Ag -3.70212 10.17103 2.12922 -0.0014 -0.0014 -0.0014 -2.5371
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Ag 1.01883 9.03415 6.61846 -0.0019 -0.0019 -0.0019 -2.5438
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Ag 0.69434 10.90762 4.65612 0.0016 0.0016 0.0016 -2.2812
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