87 lines
8.4 KiB
Plaintext
87 lines
8.4 KiB
Plaintext
84
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Ag Ag pos(A), vel, pot-en(eV)
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Ag 4.11997 -1.65057 3.80659 0.0017 0.0017 0.0017 -2.3299
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Ag 1.93243 1.97617 -2.82957 0.0015 0.0015 0.0015 -2.7648
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Ag 4.55351 -1.17983 -3.43094 -0.0001 -0.0001 -0.0001 -2.4220
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Ag 2.26633 2.36542 1.04471 -0.0075 -0.0075 -0.0075 -2.9403
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Ag -1.99266 5.52703 0.29754 0.0011 0.0011 0.0011 -2.4993
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Ag 3.80419 3.12453 -1.36029 -0.0002 -0.0002 -0.0002 -2.7646
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Ag 1.92983 2.54314 4.15000 0.0011 0.0011 0.0011 -2.5478
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Ag -0.79683 5.58403 -2.16524 0.0001 0.0001 0.0001 -2.4488
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Ag 6.49704 2.25285 -1.34366 0.0014 0.0014 0.0014 -2.2507
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Ag 3.45115 0.49232 -0.74807 -0.0028 -0.0028 -0.0028 -2.8988
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Ag 2.22951 -3.18183 4.80448 -0.0004 -0.0004 -0.0004 -2.3289
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Ag 4.65076 -1.29554 1.06050 0.0005 0.0005 0.0005 -2.5085
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Ag -3.15856 -2.98812 4.65907 -0.0021 -0.0021 -0.0021 -2.5254
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Ag 2.81695 -3.22558 1.72219 -0.0005 -0.0005 -0.0005 -2.6697
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Ag -1.50408 -5.94546 1.72037 -0.0001 -0.0001 -0.0001 -2.5283
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Ag 1.84435 -0.67480 -3.06235 0.0020 0.0020 0.0020 -2.8629
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Ag 0.32415 -2.85312 -4.35084 -0.0021 -0.0021 -0.0021 -2.5737
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Ag 1.59443 4.80047 2.72951 0.0007 0.0007 0.0007 -2.5538
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Ag 3.17317 5.73401 -2.11683 0.0026 0.0026 0.0026 -2.2960
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Ag -2.24062 -3.36861 2.08107 0.0005 0.0005 0.0005 -2.8471
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Ag 1.17537 3.97837 -1.09080 0.0005 0.0005 0.0005 -2.8242
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Ag -5.03652 1.44179 1.76437 0.0007 0.0007 0.0007 -2.4909
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Ag 2.61266 -2.09650 -5.57389 0.0000 0.0000 0.0000 -2.2962
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Ag -4.18703 -1.68541 -2.65785 -0.0026 -0.0026 -0.0026 -2.5841
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Ag -6.42996 -0.71713 1.66301 -0.0012 -0.0012 -0.0012 -2.3082
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Ag -1.81657 -0.73119 3.33931 0.0029 0.0029 0.0029 -2.8794
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Ag 2.98594 0.62247 -5.16164 0.0004 0.0004 0.0004 -2.5285
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Ag -2.06882 -5.53945 -1.03330 -0.0051 -0.0051 -0.0051 -2.5533
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Ag -0.46718 -4.20292 4.42202 0.0013 0.0013 0.0013 -2.4516
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Ag -0.61667 -1.71351 -2.04752 -0.0001 -0.0001 -0.0001 -2.8494
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Ag -0.33026 3.61392 1.20049 0.0008 0.0008 0.0008 -2.8553
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Ag 0.18110 1.23819 2.65745 0.0023 0.0023 0.0023 -2.8724
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Ag -0.79573 0.73048 -3.34807 0.0009 0.0009 0.0009 -2.7487
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Ag -0.54179 -0.84133 0.82719 0.0023 0.0023 0.0023 -2.8600
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Ag 0.66687 6.36333 0.49417 -0.0011 -0.0011 -0.0011 -2.4520
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Ag 0.60090 1.10701 -0.53711 0.0032 0.0032 0.0032 -2.8660
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Ag -2.89128 1.70020 3.99333 -0.0046 -0.0046 -0.0046 -2.5870
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Ag -0.79279 3.52635 3.85962 -0.0004 -0.0004 -0.0004 -2.5869
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Ag 0.32552 -0.44803 -5.65744 -0.0028 -0.0028 -0.0028 -2.5753
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Ag 5.86876 -0.55511 -1.38220 -0.0001 -0.0001 -0.0001 -2.3648
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Ag -1.82469 1.31810 -5.64753 -0.0002 -0.0002 -0.0002 -2.2735
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Ag -4.46359 -4.39017 -1.91826 -0.0001 -0.0001 -0.0001 -2.3505
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Ag -3.65515 1.40931 -3.37041 -0.0018 -0.0018 -0.0018 -2.4832
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Ag -0.32878 -1.72840 5.54958 0.0004 0.0004 0.0004 -2.5237
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Ag -2.18223 -3.77422 -3.24780 -0.0029 -0.0029 -0.0029 -2.5662
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Ag 2.27996 -0.30422 1.71883 -0.0012 -0.0012 -0.0012 -2.8821
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Ag 5.24958 1.68048 1.00445 0.0002 0.0002 0.0002 -2.5950
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Ag 0.32297 -4.56412 -2.14777 0.0007 0.0007 0.0007 -2.6084
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Ag 0.14125 -6.78355 -0.39418 0.0018 0.0018 0.0018 -2.2188
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Ag -3.37975 4.53127 -2.37472 0.0033 0.0033 0.0033 -2.2489
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Ag 4.27814 3.85643 2.88075 -0.0002 -0.0002 -0.0002 -2.4060
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Ag -0.03020 -3.80655 0.42947 -0.0006 -0.0006 -0.0006 -2.9030
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Ag -1.63605 3.37935 -4.13140 0.0013 0.0013 0.0013 -2.4886
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Ag -4.96722 -2.94801 2.62363 0.0008 0.0008 0.0008 -2.5774
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Ag 2.36854 -4.98213 -0.59986 -0.0035 -0.0035 -0.0035 -2.4708
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Ag 1.20937 -5.25058 2.40135 0.0015 0.0015 0.0015 -2.4078
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Ag -4.06873 -4.88252 0.80414 0.0005 0.0005 0.0005 -2.5706
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Ag -5.39439 -2.52769 -0.17932 -0.0018 -0.0018 -0.0018 -2.5580
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Ag -2.10387 -1.21023 -4.43533 -0.0019 -0.0019 -0.0019 -2.5457
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Ag 4.87537 1.37339 -3.12050 0.0016 0.0016 0.0016 -2.4795
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Ag 0.88761 2.44431 -5.20585 -0.0006 -0.0006 -0.0006 -2.4993
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Ag 0.49644 -2.26743 2.86302 -0.0011 -0.0011 -0.0011 -2.8316
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Ag 3.24218 5.40261 0.68528 -0.0026 -0.0026 -0.0026 -2.4933
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Ag -4.73168 -0.55155 3.75670 -0.0002 -0.0002 -0.0002 -2.5437
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Ag -0.65371 6.20600 2.90266 0.0023 0.0023 0.0023 -2.2178
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Ag 5.65196 4.30185 0.47071 -0.0003 -0.0003 -0.0003 -2.2590
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Ag -2.63129 -2.84941 -0.59295 -0.0003 -0.0003 -0.0003 -2.8723
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Ag -0.29059 1.21360 5.42432 -0.0008 -0.0008 -0.0008 -2.4736
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Ag -1.35814 2.97250 -1.27441 0.0020 0.0020 0.0020 -2.8479
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Ag 1.25772 4.71782 -3.70815 0.0015 0.0015 0.0015 -2.4448
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Ag -3.75350 -1.00500 1.12148 -0.0033 -0.0033 -0.0033 -2.8192
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Ag 4.38469 -2.78321 -1.07057 0.0006 0.0006 0.0006 -2.3679
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Ag -5.22181 0.27867 -0.79838 -0.0001 -0.0001 -0.0001 -2.5548
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Ag -2.29691 1.37138 1.08372 -0.0019 -0.0019 -0.0019 -2.8543
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Ag -3.02079 3.93466 2.24593 0.0018 0.0018 0.0018 -2.4911
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Ag -2.53445 0.08613 -1.26894 0.0001 0.0001 0.0001 -2.8278
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Ag -3.91810 2.91013 -0.33765 -0.0025 -0.0025 -0.0025 -2.5262
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Ag 1.76199 -2.01231 -0.68453 -0.0010 -0.0010 -0.0010 -2.8867
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Ag 2.83069 -3.26508 -2.91474 0.0034 0.0034 0.0034 -2.4822
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Ag -3.61662 -5.35819 3.42998 0.0026 0.0026 0.0026 -2.2680
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Ag -2.87743 -0.55189 5.75735 -0.0009 -0.0009 -0.0009 -2.3080
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Ag 3.71699 3.64571 -4.09838 0.0032 0.0032 0.0032 -2.3952
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Ag 4.14808 1.17670 3.42597 0.0008 0.0008 0.0008 -2.4802
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Ag 1.87436 -0.26614 4.51874 0.0002 0.0002 0.0002 -2.6729
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