80 lines
7.7 KiB
Plaintext
80 lines
7.7 KiB
Plaintext
77
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Ag Ag pos(A), vel, pot-en(eV)
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Ag -51.39390 -52.73653 6.19268 -0.0017 -0.0017 -0.0017 -2.8910
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Ag -52.00953 -55.53883 6.54170 0.0010 0.0010 0.0010 -2.8815
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Ag -51.52219 -54.93142 9.63214 0.0015 0.0015 0.0015 -2.9504
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Ag -51.34601 -50.04734 7.16961 -0.0009 -0.0009 -0.0009 -2.9057
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Ag -50.04122 -50.66398 4.72218 -0.0062 -0.0062 -0.0062 -2.8981
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Ag -49.32314 -55.92446 5.46676 0.0021 0.0021 0.0021 -2.9222
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Ag -53.35489 -53.35624 8.08639 -0.0039 -0.0039 -0.0039 -2.9092
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Ag -49.85292 -52.27467 2.63674 0.0011 0.0011 0.0011 -2.9052
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Ag -50.89587 -52.12951 9.05936 0.0037 0.0037 0.0037 -2.9463
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Ag -51.85008 -57.21942 4.39617 0.0003 0.0003 0.0003 -2.6709
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Ag -54.01196 -53.96284 5.15458 0.0013 0.0013 0.0013 -2.7516
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Ag -48.77274 -53.13394 5.12520 0.0000 0.0000 0.0000 -2.8777
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Ag -48.65481 -51.31397 7.40719 0.0002 0.0002 0.0002 -2.8203
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Ag -52.44563 -58.15441 6.94235 -0.0048 -0.0048 -0.0048 -2.4538
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Ag -48.93269 -53.62946 10.54604 -0.0024 -0.0024 -0.0024 -2.6660
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Ag -53.73774 -48.51508 7.25622 -0.0018 -0.0018 -0.0018 -2.5964
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Ag -53.56510 -48.20298 2.47631 -0.0013 -0.0013 -0.0013 -2.3652
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Ag -47.39206 -58.94843 4.62397 0.0008 0.0008 0.0008 -2.0937
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Ag -51.88272 -57.23620 12.19797 0.0008 0.0008 0.0008 -2.1153
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Ag -53.72175 -55.47262 3.08615 0.0003 0.0003 0.0003 -2.5516
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Ag -52.60097 -50.16620 11.91867 0.0019 0.0019 0.0019 -2.1903
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Ag -56.29657 -55.01867 4.19623 -0.0014 -0.0014 -0.0014 -2.2836
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Ag -55.85821 -51.89669 8.13328 0.0020 0.0020 0.0020 -2.5580
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Ag -46.49983 -53.68925 3.57909 -0.0003 -0.0003 -0.0003 -2.4505
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Ag -48.37264 -50.95164 10.05214 0.0001 0.0001 0.0001 -2.5565
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Ag -50.04502 -56.96032 8.14712 0.0029 0.0029 0.0029 -2.7655
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Ag -54.49062 -56.63008 5.54201 0.0001 0.0001 0.0001 -2.5429
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Ag -47.39723 -57.33377 7.00346 -0.0008 -0.0008 -0.0008 -2.4680
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Ag -53.90915 -56.13766 10.91819 0.0005 0.0005 0.0005 -2.2643
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Ag -53.91903 -56.07606 8.39503 0.0030 0.0030 0.0030 -2.5816
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Ag -56.16441 -52.31560 5.35134 -0.0025 -0.0025 -0.0025 -2.5767
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Ag -49.22353 -57.60668 3.26835 0.0018 0.0018 0.0018 -2.5441
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Ag -55.72266 -54.38970 7.23362 0.0001 0.0001 0.0001 -2.5250
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Ag -52.79318 -52.76189 11.01717 0.0016 0.0016 0.0016 -2.6948
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Ag -53.50947 -50.77327 1.51903 -0.0042 -0.0042 -0.0042 -2.4801
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Ag -46.78132 -54.57626 6.69116 0.0024 0.0024 0.0024 -2.6016
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Ag -48.85304 -54.95519 2.83075 -0.0017 -0.0017 -0.0017 -2.7337
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Ag -46.50528 -52.12449 5.85665 -0.0007 -0.0007 -0.0007 -2.5013
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Ag -46.79756 -52.88960 8.81151 -0.0001 -0.0001 -0.0001 -2.5219
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Ag -48.69431 -50.53268 0.90815 0.0013 0.0013 0.0013 -2.4680
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Ag -51.12982 -49.71097 2.23282 -0.0024 -0.0024 -0.0024 -2.7390
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Ag -51.30472 -54.42817 4.04916 -0.0033 -0.0033 -0.0033 -2.9027
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Ag -52.28544 -53.36920 1.76095 -0.0027 -0.0027 -0.0027 -2.6300
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Ag -52.43353 -46.60909 5.65457 0.0010 0.0010 0.0010 -2.3645
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Ag -49.77325 -47.73731 5.82472 -0.0005 -0.0005 -0.0005 -2.6102
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Ag -51.28411 -56.20080 1.81701 -0.0034 -0.0034 -0.0034 -2.5684
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Ag -48.97814 -52.36079 -1.28602 -0.0032 -0.0032 -0.0032 -2.1002
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Ag -56.15630 -49.72401 6.34240 -0.0011 -0.0011 -0.0011 -2.3718
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Ag -53.73751 -51.13556 6.39607 -0.0017 -0.0017 -0.0017 -2.9048
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Ag -52.43033 -51.75426 3.84385 0.0016 0.0016 0.0016 -2.8722
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Ag -47.43322 -51.10356 3.45641 -0.0005 -0.0005 -0.0005 -2.6303
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Ag -47.45245 -49.37432 5.76950 -0.0011 -0.0011 -0.0011 -2.5511
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Ag -50.70885 -49.40866 10.09296 -0.0025 -0.0025 -0.0025 -2.5644
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Ag -54.88716 -52.84786 2.89878 -0.0008 -0.0008 -0.0008 -2.5686
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Ag -50.30326 -51.62680 11.88709 0.0004 0.0004 0.0004 -2.4658
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Ag -48.82062 -48.79116 8.17535 0.0011 0.0011 0.0011 -2.5516
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Ag -54.81471 -50.24257 3.94443 -0.0015 -0.0015 -0.0015 -2.6730
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Ag -49.81111 -58.56141 5.87980 0.0000 0.0000 0.0000 -2.4850
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Ag -50.89182 -46.98112 3.47356 0.0005 0.0005 0.0005 -2.3243
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Ag -52.32514 -49.07407 4.78877 -0.0022 -0.0022 -0.0022 -2.8623
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Ag -46.66197 -56.22114 4.43583 0.0015 0.0015 0.0015 -2.4616
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Ag -50.93019 -54.39224 12.35942 -0.0001 -0.0001 -0.0001 -2.3625
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Ag -51.23277 -51.66865 0.01754 0.0006 0.0006 0.0006 -2.4502
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Ag -51.16179 -47.31894 8.17163 -0.0012 -0.0012 -0.0012 -2.3409
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Ag -53.29839 -50.59581 9.20329 0.0017 0.0017 0.0017 -2.7758
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Ag -48.79436 -48.74539 3.12735 -0.0007 -0.0007 -0.0007 -2.4664
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Ag -52.25513 -57.85998 9.62215 -0.0011 -0.0011 -0.0011 -2.4161
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Ag -54.96623 -47.74028 4.83811 -0.0034 -0.0034 -0.0034 -2.3573
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Ag -55.35728 -51.42132 10.80846 -0.0001 -0.0001 -0.0001 -2.1567
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Ag -49.49257 -54.22729 7.67191 0.0001 0.0001 0.0001 -2.9272
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Ag -47.62934 -55.71603 9.12185 0.0011 0.0011 0.0011 -2.4697
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Ag -46.34460 -50.24937 8.21786 -0.0004 -0.0004 -0.0004 -2.3203
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Ag -50.13268 -54.22911 0.20608 0.0033 0.0033 0.0033 -2.5147
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Ag -49.61910 -56.45093 10.90989 0.0011 0.0011 0.0011 -2.4373
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Ag -48.64898 -56.47621 0.78349 -0.0007 -0.0007 -0.0007 -2.1544
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Ag -47.83247 -53.28696 0.95412 -0.0007 -0.0007 -0.0007 -2.4646
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Ag -55.06278 -53.82728 10.14362 0.0042 0.0042 0.0042 -2.4041
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