85 lines
8.2 KiB
Plaintext
85 lines
8.2 KiB
Plaintext
82
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Ag Ag pos(A), vel, pot-en(eV)
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Ag -5.75334 1.55311 -2.72958 0.0060 0.0060 0.0060 -2.0149
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Ag -2.65581 2.66984 -3.03778 0.0052 0.0052 0.0052 -2.5296
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Ag 0.45923 3.34750 1.59652 0.0009 0.0009 0.0009 -2.5479
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Ag -5.95354 1.25053 0.57026 -0.0073 -0.0073 -0.0073 -2.1102
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Ag -0.13433 -3.13368 6.10258 -0.0030 -0.0030 -0.0030 -2.2660
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Ag 0.76955 -3.69224 3.62318 0.0027 0.0027 0.0027 -2.6004
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Ag 3.46773 -0.54742 0.80868 -0.0070 -0.0070 -0.0070 -2.5105
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Ag -4.56192 -5.34908 -1.79089 0.0009 0.0009 0.0009 -1.9662
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Ag 2.41809 3.52724 -4.81812 0.0004 0.0004 0.0004 -2.3535
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Ag 3.47245 6.08424 -1.51291 -0.0056 -0.0056 -0.0056 -1.8892
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Ag 0.61628 0.01991 -0.83269 -0.0031 -0.0031 -0.0031 -2.7233
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Ag -1.92094 -3.36785 -4.52431 0.0017 0.0017 0.0017 -2.2248
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Ag 2.82063 2.68403 0.75638 0.0032 0.0032 0.0032 -2.5301
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Ag -0.65332 -1.41431 3.72470 0.0014 0.0014 0.0014 -2.6740
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Ag -3.31540 2.97658 4.85659 0.0013 0.0013 0.0013 -1.9216
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Ag 1.89363 -6.01597 3.25535 -0.0028 -0.0028 -0.0028 -2.2266
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Ag 2.19437 3.39358 -1.84211 0.0035 0.0035 0.0035 -2.6498
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Ag 0.21150 2.48860 -3.64434 0.0007 0.0007 0.0007 -2.5935
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Ag 2.06233 0.47909 -3.11713 -0.0082 -0.0082 -0.0082 -2.7570
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Ag -3.86100 1.56693 -1.00123 0.0040 0.0040 0.0040 -2.4097
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Ag -1.25323 5.21230 0.65134 -0.0011 -0.0011 -0.0011 -2.2045
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Ag 2.56259 -1.46073 3.27486 0.0050 0.0050 0.0050 -2.3565
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Ag -4.34976 3.57784 0.49285 0.0003 0.0003 0.0003 -2.0621
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Ag -4.44977 -2.08797 2.99065 0.0002 0.0002 0.0002 -2.4027
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Ag -2.87468 0.22758 3.18705 -0.0074 -0.0074 -0.0074 -2.5173
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Ag -2.35768 -0.04210 -2.38072 0.0046 0.0046 0.0046 -2.6835
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Ag -4.30744 -4.22152 4.38423 0.0010 0.0010 0.0010 -1.9315
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Ag 0.82753 -2.12672 1.34033 -0.0054 -0.0054 -0.0054 -2.8040
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Ag 0.03364 -5.99141 5.13651 -0.0023 -0.0023 -0.0023 -2.0748
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Ag -3.90807 -3.02627 0.48038 -0.0017 -0.0017 -0.0017 -2.4541
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Ag 1.74581 0.87192 -5.86192 0.0029 0.0029 0.0029 -2.4651
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Ag 3.62833 4.07342 3.71886 -0.0017 -0.0017 -0.0017 -2.0444
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Ag 4.54650 3.88980 -2.74291 0.0005 0.0005 0.0005 -2.2840
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Ag -2.39305 2.48379 -5.53060 -0.0035 -0.0035 -0.0035 -2.3641
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Ag 1.33495 0.62004 2.08228 -0.0026 -0.0026 -0.0026 -2.7142
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Ag -4.35676 4.41232 -1.93527 -0.0013 -0.0013 -0.0013 -2.1446
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Ag 3.19944 -3.56647 2.08945 0.0012 0.0012 0.0012 -2.3745
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Ag 1.11096 5.36713 -0.56480 -0.0011 -0.0011 -0.0011 -2.4189
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Ag 3.68834 -3.29727 -0.56104 -0.0058 -0.0058 -0.0058 -2.3779
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Ag 1.26338 -2.67679 -1.36012 0.0012 0.0012 0.0012 -2.6980
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Ag -3.07905 -2.81905 -2.09848 -0.0038 -0.0038 -0.0038 -2.6193
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Ag -1.61934 4.12985 3.15920 0.0016 0.0016 0.0016 -2.3274
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Ag -1.36288 0.61155 0.96972 -0.0000 -0.0000 -0.0000 -2.6285
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Ag 4.30323 1.73275 -1.13996 -0.0036 -0.0036 -0.0036 -2.4279
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Ag 2.93594 -2.87831 -3.47797 -0.0015 -0.0015 -0.0015 -2.3298
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Ag 2.32267 -5.52408 0.57593 0.0047 0.0047 0.0047 -2.3932
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Ag 1.24560 -0.86742 5.44600 0.0009 0.0009 0.0009 -2.2829
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Ag -2.64714 5.29381 -4.19806 -0.0003 -0.0003 -0.0003 -2.1017
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Ag -0.73322 -6.41431 1.44913 0.0010 0.0010 0.0010 -2.3861
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Ag 6.49450 1.16821 -2.36484 -0.0023 -0.0023 -0.0023 -1.8189
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Ag -2.55582 -1.59074 5.56927 -0.0009 -0.0009 -0.0009 -2.2508
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Ag -0.60897 2.65195 -1.00451 -0.0010 -0.0010 -0.0010 -2.7399
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Ag -0.56631 -4.24866 -0.03368 0.0004 0.0004 0.0004 -2.6982
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Ag 0.51325 -4.26901 -3.30945 -0.0014 -0.0014 -0.0014 -2.5328
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Ag -0.61780 1.66754 -7.42830 0.0001 0.0001 0.0001 -2.1971
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Ag -0.55785 -1.72883 -3.37027 -0.0011 -0.0011 -0.0011 -2.5014
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Ag -1.61651 -1.75459 -0.32998 -0.0015 -0.0015 -0.0015 -2.7132
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Ag -2.93195 2.88681 -8.24663 -0.0052 -0.0052 -0.0052 -1.6556
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Ag -0.68389 4.79172 -2.76668 -0.0021 -0.0021 -0.0021 -2.3956
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Ag -4.88329 -0.90888 -1.51433 -0.0022 -0.0022 -0.0022 -2.4808
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Ag -0.84007 3.59179 5.82616 -0.0031 -0.0031 -0.0031 -2.0806
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Ag -3.96573 -0.53630 0.89068 -0.0008 -0.0008 -0.0008 -2.4694
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Ag 3.93018 -1.12308 -2.05457 0.0062 0.0062 0.0062 -2.3127
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Ag -4.79112 -0.12706 4.89673 -0.0010 -0.0010 -0.0010 -2.0045
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Ag 3.63699 -0.92314 -5.23790 0.0013 0.0013 0.0013 -2.2699
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Ag -3.64037 -1.23274 -4.45617 -0.0000 -0.0000 -0.0000 -2.1771
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Ag 4.40856 1.58709 -4.16747 0.0042 0.0042 0.0042 -2.4833
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Ag -0.15572 1.31508 4.44129 -0.0023 -0.0023 -0.0023 -2.5531
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Ag -1.97548 -5.37382 -2.29504 -0.0009 -0.0009 -0.0009 -2.4885
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Ag 2.53998 -4.57114 5.20707 -0.0053 -0.0053 -0.0053 -2.1056
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Ag -3.02511 -5.61864 0.23598 0.0003 0.0003 0.0003 -2.4668
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Ag 1.21307 3.78480 4.11845 0.0051 0.0051 0.0051 -2.3955
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Ag 2.09994 5.30509 1.98010 0.0017 0.0017 0.0017 -2.2771
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Ag -2.98705 -5.93197 2.99600 0.0039 0.0039 0.0039 -2.1532
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Ag -0.59268 0.50387 -4.86144 0.0011 0.0011 0.0011 -2.4576
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Ag -0.37884 4.29432 -5.79491 0.0036 0.0036 0.0036 -2.3094
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Ag 0.47415 -6.35822 -1.12884 0.0054 0.0054 0.0054 -2.3546
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Ag 4.77362 1.99913 2.96165 0.0049 0.0049 0.0049 -1.9925
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Ag -2.07815 -3.63642 2.18273 -0.0047 -0.0047 -0.0047 -2.6812
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Ag 3.13570 1.94262 5.13829 -0.0031 -0.0031 -0.0031 -2.0893
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Ag 0.88246 -1.94567 -5.52431 0.0021 0.0021 0.0021 -2.3319
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Ag 2.55292 -5.79972 -2.73943 -0.0044 -0.0044 -0.0044 -2.0523
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