69 lines
6.6 KiB
Plaintext
69 lines
6.6 KiB
Plaintext
66
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Ag Ag pos(A), vel, pot-en(eV)
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Ag 1.34496 -6.30710 2.94127 0.0018 0.0018 0.0018 -2.1159
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Ag 3.04537 3.77489 -0.56089 -0.0001 -0.0001 -0.0001 -2.2138
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Ag -2.66877 -5.24128 -3.20439 0.0030 0.0030 0.0030 -2.1870
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Ag 3.00787 4.28445 3.13914 0.0004 0.0004 0.0004 -2.2349
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Ag -1.82308 -2.83885 4.79668 -0.0046 -0.0046 -0.0046 -2.3285
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Ag 0.43448 -4.48115 5.11120 -0.0017 -0.0017 -0.0017 -2.2357
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Ag 1.83684 -3.68804 2.96374 0.0040 0.0040 0.0040 -2.4795
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Ag 0.26089 1.05533 1.51845 0.0035 0.0035 0.0035 -2.5917
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Ag 5.36033 2.49485 0.14720 0.0014 0.0014 0.0014 -2.0516
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Ag 0.35662 3.22852 4.38547 -0.0003 -0.0003 -0.0003 -2.4828
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Ag 0.83077 6.52747 0.29155 0.0021 0.0021 0.0021 -2.3464
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Ag -2.05419 -2.13053 -2.51000 -0.0019 -0.0019 -0.0019 -2.5783
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Ag -1.39477 5.06497 0.18197 -0.0036 -0.0036 -0.0036 -2.4099
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Ag -3.59794 -0.97310 3.60450 0.0026 0.0026 0.0026 -2.2779
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Ag 1.35046 0.48408 3.70961 0.0025 0.0025 0.0025 -2.3893
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Ag -1.39176 0.76700 -2.66182 -0.0004 -0.0004 -0.0004 -2.3889
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Ag -3.21895 -1.85766 1.16332 0.0005 0.0005 0.0005 -2.4610
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Ag -1.12530 1.96904 -0.56233 0.0020 0.0020 0.0020 -2.5684
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Ag 4.20482 -0.38695 -5.33836 0.0024 0.0024 0.0024 -1.9132
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Ag 1.54067 -1.99044 -0.29760 0.0044 0.0044 0.0044 -2.4861
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Ag 6.08857 2.52487 -2.39656 -0.0030 -0.0030 -0.0030 -1.9880
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Ag 5.28880 2.60728 -4.98032 -0.0077 -0.0077 -0.0077 -1.8908
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Ag 2.83119 3.21905 5.46582 -0.0007 -0.0007 -0.0007 -1.9799
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Ag -1.50192 3.41717 2.28891 0.0016 0.0016 0.0016 -2.6673
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Ag -1.58809 -7.53498 0.95510 -0.0042 -0.0042 -0.0042 -2.0762
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Ag -0.30710 -4.34373 -2.67874 -0.0020 -0.0020 -0.0020 -2.3216
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Ag -1.36375 -3.77119 -0.16019 0.0093 0.0093 0.0093 -2.5550
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Ag -0.97738 -5.10823 2.94899 -0.0006 -0.0006 -0.0006 -2.5461
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Ag 4.20649 -1.43768 -0.04796 -0.0008 -0.0008 -0.0008 -2.0983
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Ag -1.00470 -1.11323 -0.21183 0.0011 0.0011 0.0011 -2.7611
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Ag -1.07578 -6.55818 -1.47606 -0.0001 -0.0001 -0.0001 -2.3197
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Ag -1.61406 7.18449 -1.28592 -0.0026 -0.0026 -0.0026 -2.0372
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Ag -3.54025 2.86173 -0.00782 0.0008 0.0008 0.0008 -2.4457
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Ag -4.41777 3.06606 2.46740 0.0000 0.0000 0.0000 -2.1211
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Ag 2.40031 1.12168 -6.63150 -0.0028 -0.0028 -0.0028 -2.1724
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Ag -0.04743 5.23756 -2.30316 -0.0008 -0.0008 -0.0008 -2.2687
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Ag -1.78166 -0.87319 -5.38572 0.0032 0.0032 0.0032 -2.0802
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Ag 2.06045 -1.40802 -5.55358 0.0016 0.0016 0.0016 -1.9582
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Ag -3.74314 -3.54775 -1.06354 -0.0071 -0.0071 -0.0071 -2.3129
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Ag 0.78250 -1.71285 4.99745 0.0028 0.0028 0.0028 -2.3503
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Ag 0.38420 -1.68788 -3.57263 -0.0012 -0.0012 -0.0012 -2.4347
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Ag 3.21070 -3.95126 0.68182 -0.0014 -0.0014 -0.0014 -2.1382
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Ag 4.34652 2.00004 3.86008 0.0023 0.0023 0.0023 -2.1496
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Ag 1.43504 0.69993 -1.27145 -0.0007 -0.0007 -0.0007 -2.6707
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Ag 1.39318 3.48109 -5.20035 -0.0010 -0.0010 -0.0010 -2.0789
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Ag 0.75349 -5.06067 0.53786 -0.0023 -0.0023 -0.0023 -2.5025
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Ag 3.11140 1.73362 1.38138 -0.0014 -0.0014 -0.0014 -2.5924
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Ag -3.63385 -6.92186 -1.33745 -0.0021 -0.0021 -0.0021 -2.0822
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Ag -3.85746 -3.70570 2.93400 0.0050 0.0050 0.0050 -2.1829
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Ag -1.89808 1.92191 -5.33195 -0.0049 -0.0049 -0.0049 -2.1911
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Ag -0.20254 -1.96534 2.49935 0.0063 0.0063 0.0063 -2.6944
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Ag 0.22664 2.57605 -3.11654 0.0065 0.0065 0.0065 -2.4637
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Ag -2.44880 0.42803 1.49540 -0.0016 -0.0016 -0.0016 -2.4754
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Ag -2.53195 3.20921 -2.80426 0.0013 0.0013 0.0013 -2.3161
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Ag 0.31714 0.48374 -5.17475 -0.0032 -0.0032 -0.0032 -2.4272
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Ag 0.40092 5.49509 2.87908 0.0049 0.0049 0.0049 -2.4139
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Ag 3.17772 2.20169 -3.50528 0.0014 0.0014 0.0014 -2.4479
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Ag 3.58493 -0.67987 3.00332 -0.0028 -0.0028 -0.0028 -2.1231
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Ag -2.50744 2.50855 4.55490 -0.0041 -0.0041 -0.0041 -2.1254
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Ag 4.05584 0.21500 -2.10673 -0.0012 -0.0012 -0.0012 -2.2608
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Ag -0.50792 0.90928 5.54071 0.0007 0.0007 0.0007 -2.1475
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Ag -1.45677 7.15281 1.60053 -0.0028 -0.0028 -0.0028 -2.0803
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Ag 0.71144 3.56902 0.56527 -0.0020 -0.0020 -0.0020 -2.6281
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Ag -3.10384 -5.36966 1.07179 -0.0056 -0.0056 -0.0056 -2.3917
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Ag -4.96055 0.64368 1.54895 -0.0027 -0.0027 -0.0027 -2.2242
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Ag -3.54778 -0.02611 -1.04575 -0.0016 -0.0016 -0.0016 -2.5579
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