103 lines
10 KiB
Plaintext
103 lines
10 KiB
Plaintext
100
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Ag Ag pos(A), vel, pot-en(eV)
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Ag -49.84954 4.32914 16.03070 0.0029 0.0029 0.0029 -2.9048
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Ag -51.76435 6.50114 16.65798 0.0019 0.0019 0.0019 -2.9352
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Ag -49.66437 8.32613 17.57893 -0.0018 -0.0018 -0.0018 -2.9060
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Ag -47.06585 3.83424 15.57476 -0.0025 -0.0025 -0.0025 -2.8102
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Ag -48.81986 1.76985 16.55739 -0.0012 -0.0012 -0.0012 -2.9330
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Ag -52.66416 4.93114 18.98119 -0.0028 -0.0028 -0.0028 -2.9142
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Ag -49.58681 7.08842 14.85796 -0.0010 -0.0010 -0.0010 -2.9487
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Ag -51.65092 0.93294 16.63244 0.0002 0.0002 0.0002 -2.9247
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Ag -47.77932 6.25573 16.97348 -0.0002 -0.0002 -0.0002 -2.9349
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Ag -54.43245 5.76235 16.93113 -0.0030 -0.0030 -0.0030 -2.6250
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Ag -51.63939 5.24922 14.04820 0.0010 0.0010 0.0010 -2.9208
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Ag -50.59362 2.94001 18.46358 -0.0012 -0.0012 -0.0012 -2.9214
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Ag -47.79707 3.82669 18.37645 -0.0014 -0.0014 -0.0014 -2.8682
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Ag -53.45485 8.69068 17.46394 0.0021 0.0021 0.0021 -2.5129
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Ag -47.66921 7.76300 19.69467 0.0016 0.0016 0.0016 -2.6253
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Ag -46.34007 3.90793 12.74889 -0.0007 -0.0007 -0.0007 -2.7099
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Ag -46.34044 -0.69331 11.58134 0.0014 0.0014 0.0014 -2.2354
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Ag -55.31899 5.51086 21.63507 -0.0017 -0.0017 -0.0017 -2.3425
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Ag -49.48506 10.85141 16.25398 0.0000 0.0000 0.0000 -2.4867
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Ag -54.24354 4.50574 14.43271 0.0026 0.0026 0.0026 -2.5536
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Ag -44.14780 8.23926 12.42192 -0.0010 -0.0010 -0.0010 -2.3474
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Ag -53.53652 5.88343 12.04398 0.0032 0.0032 0.0032 -2.3704
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Ag -44.32782 5.68461 13.52267 0.0028 0.0028 0.0028 -2.4586
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Ag -51.36958 1.63307 20.77850 -0.0022 -0.0022 -0.0022 -2.5624
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Ag -45.79880 5.69855 19.11500 -0.0042 -0.0042 -0.0042 -2.5674
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Ag -51.87156 7.63562 19.27794 -0.0016 -0.0016 -0.0016 -2.8964
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Ag -53.76904 7.10651 14.48511 0.0004 0.0004 0.0004 -2.4717
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Ag -51.84867 8.88639 21.97594 -0.0017 -0.0017 -0.0017 -2.3416
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Ag -45.48140 10.75218 16.31477 -0.0001 -0.0001 -0.0001 -2.3025
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Ag -51.48715 9.11564 15.58094 -0.0011 -0.0011 -0.0011 -2.6361
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Ag -51.05876 5.06346 11.22348 -0.0019 -0.0019 -0.0019 -2.7073
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Ag -55.39816 4.11669 19.02223 -0.0012 -0.0012 -0.0012 -2.6715
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Ag -51.58297 7.73589 12.83975 -0.0008 -0.0008 -0.0008 -2.6601
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Ag -47.41587 9.01977 15.81422 0.0004 0.0004 0.0004 -2.7669
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Ag -51.76124 0.50134 12.66284 -0.0010 -0.0010 -0.0010 -2.5653
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Ag -50.72855 4.28858 21.05683 0.0023 0.0023 0.0023 -2.6824
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Ag -53.33626 2.26412 18.71941 0.0025 0.0025 0.0025 -2.9169
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Ag -48.68346 2.43393 20.64487 0.0006 0.0006 0.0006 -2.5755
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Ag -47.94668 5.13827 20.78090 0.0037 0.0037 0.0037 -2.5766
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Ag -51.95418 -3.58776 15.17419 0.0009 0.0009 0.0009 -2.2246
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Ag -49.88966 -0.30449 14.76646 0.0017 0.0017 0.0017 -2.9187
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Ag -52.64477 3.54189 16.27536 -0.0028 -0.0028 -0.0028 -2.8255
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Ag -53.49138 1.77709 14.65763 -0.0003 -0.0003 -0.0003 -2.6148
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Ag -45.24035 1.39029 13.29383 0.0009 0.0009 0.0009 -2.4936
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Ag -46.02197 1.24260 16.05162 0.0013 0.0013 0.0013 -2.6521
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Ag -55.35222 2.79443 16.43142 -0.0030 -0.0030 -0.0030 -2.5333
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Ag -53.71165 -2.49083 17.01332 0.0001 0.0001 0.0001 -2.3015
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Ag -48.20618 4.41691 10.63316 0.0017 0.0017 0.0017 -2.5945
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Ag -49.01433 4.51165 13.41195 0.0031 0.0031 0.0031 -2.8907
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Ag -50.79997 2.39330 14.37770 -0.0009 -0.0009 -0.0009 -2.9051
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Ag -49.61417 0.40062 18.91068 0.0009 0.0009 0.0009 -2.6402
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Ag -47.01230 1.11215 18.66577 0.0031 0.0031 0.0031 -2.5398
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Ag -44.86470 5.88045 16.46183 0.0005 0.0005 0.0005 -2.6363
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Ag -52.72908 3.16215 12.37302 -0.0027 -0.0027 -0.0027 -2.5846
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Ag -45.70037 8.18819 17.71644 0.0001 0.0001 0.0001 -2.5734
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Ag -45.06480 3.38877 17.81444 -0.0000 -0.0000 -0.0000 -2.5324
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Ag -49.95109 2.48433 11.65282 -0.0009 -0.0009 -0.0009 -2.6752
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Ag -54.67996 8.17796 21.76954 -0.0008 -0.0008 -0.0008 -2.2420
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Ag -47.01913 -0.41040 14.27957 0.0026 0.0026 0.0026 -2.6075
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Ag -47.88118 2.11127 14.01105 0.0009 0.0009 0.0009 -2.7207
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Ag -53.50511 3.44833 21.16207 0.0000 0.0000 0.0000 -2.6661
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Ag -47.65304 11.20939 14.22012 0.0014 0.0014 0.0014 -2.4565
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Ag -50.88674 -2.24140 12.97428 -0.0018 -0.0018 -0.0018 -2.4110
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Ag -44.35358 3.37659 15.02433 0.0018 0.0018 0.0018 -2.4648
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Ag -46.87360 6.36248 14.28939 -0.0038 -0.0038 -0.0038 -2.9007
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Ag -48.09157 -1.00048 16.75997 0.0002 0.0002 0.0002 -2.6110
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Ag -50.81460 7.79355 10.24092 0.0029 0.0029 0.0029 -2.3241
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Ag -47.15003 1.86896 11.24858 -0.0022 -0.0022 -0.0022 -2.4857
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Ag -47.16610 8.64321 12.83594 -0.0010 -0.0010 -0.0010 -2.8717
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Ag -50.00538 5.58149 18.63103 -0.0032 -0.0032 -0.0032 -2.8899
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Ag -49.88666 7.07280 21.33390 0.0010 0.0010 0.0010 -2.5620
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Ag -46.08954 3.05150 20.24928 -0.0023 -0.0023 -0.0023 -2.3274
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Ag -56.10768 1.33560 18.77333 0.0045 0.0045 0.0045 -2.4703
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Ag -53.42273 9.84704 19.99342 -0.0009 -0.0009 -0.0009 -2.3518
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Ag -54.26209 0.74218 20.82709 -0.0027 -0.0027 -0.0027 -2.4708
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Ag -52.38293 -0.42824 18.96617 -0.0046 -0.0046 -0.0046 -2.6643
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Ag -47.85119 7.41955 9.56107 0.0013 0.0013 0.0013 -2.4057
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Ag -54.33214 0.25587 16.94481 0.0007 0.0007 0.0007 -2.6918
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Ag -56.14573 2.65734 21.17453 0.0007 0.0007 0.0007 -2.2355
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Ag -52.79918 -1.09413 14.75413 -0.0009 -0.0009 -0.0009 -2.6334
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Ag -51.38297 10.49684 18.20751 0.0016 0.0016 0.0016 -2.4694
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Ag -47.81719 -2.53701 12.95657 -0.0001 -0.0001 -0.0001 -2.3442
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Ag -49.04235 6.80684 11.99254 -0.0009 -0.0009 -0.0009 -2.8826
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Ag -50.87114 -1.74884 16.99355 -0.0020 -0.0020 -0.0020 -2.6563
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Ag -55.06533 -1.23124 19.17806 0.0004 0.0004 0.0004 -2.2392
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Ag -46.16692 6.45666 11.47851 -0.0009 -0.0009 -0.0009 -2.6661
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Ag -49.69534 9.58052 13.51983 -0.0031 -0.0031 -0.0031 -2.6312
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Ag -49.09202 -2.94132 15.28936 -0.0015 -0.0015 -0.0015 -2.4833
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Ag -45.05703 10.60502 13.45528 -0.0018 -0.0018 -0.0018 -2.4022
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Ag -47.70537 10.08181 18.15548 0.0008 0.0008 0.0008 -2.4604
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Ag -48.96675 -0.03752 12.20282 0.0004 0.0004 0.0004 -2.6707
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Ag -44.76204 8.34502 15.08242 0.0021 0.0021 0.0021 -2.6209
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Ag -52.65908 6.30403 21.62106 -0.0014 -0.0014 -0.0014 -2.6470
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Ag -49.79842 9.56259 20.10780 -0.0015 -0.0015 -0.0015 -2.4964
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Ag -45.98738 9.23200 10.49200 -0.0016 -0.0016 -0.0016 -2.3811
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Ag -46.33358 -2.65363 15.56089 -0.0018 -0.0018 -0.0018 -2.0785
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Ag -49.70192 5.72434 8.96893 0.0002 0.0002 0.0002 -2.1581
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Ag -54.64409 6.86891 19.30711 0.0001 0.0001 0.0001 -2.6041
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Ag -48.99544 9.42799 10.81681 -0.0016 -0.0016 -0.0016 -2.4300
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Ag -47.27938 11.32780 11.58440 -0.0018 -0.0018 -0.0018 -2.2342
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