90 lines
8.7 KiB
Plaintext
90 lines
8.7 KiB
Plaintext
87
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Ag Ag pos(A), vel, pot-en(eV)
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Ag -2.02414 3.58054 -2.10679 0.0036 0.0036 0.0036 -2.6536
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Ag 0.97006 -0.78172 0.59878 0.0032 0.0032 0.0032 -2.2884
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Ag 4.18341 -4.07498 2.88930 0.0000 0.0000 0.0000 -2.5184
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Ag -2.59719 -3.01156 3.70944 -0.0019 -0.0019 -0.0019 -2.3100
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Ag 1.76644 3.63489 3.64466 0.0031 0.0031 0.0031 -2.1982
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Ag 0.14277 -0.46487 -3.73265 -0.0046 -0.0046 -0.0046 -2.4979
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Ag -6.49446 6.05464 -0.69621 -0.0027 -0.0027 -0.0027 -2.2608
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Ag 2.85859 0.35411 -3.69976 0.0019 0.0019 0.0019 -2.4149
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Ag -4.46677 4.46418 -1.21996 0.0011 0.0011 0.0011 -2.6053
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Ag 3.37260 -1.92272 4.20253 0.0041 0.0041 0.0041 -2.4999
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Ag -1.38413 -1.70530 -1.49160 0.0017 0.0017 0.0017 -2.7127
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Ag 2.53266 4.33416 0.69637 0.0039 0.0039 0.0039 -2.2578
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Ag 2.41240 -1.00458 -1.51264 0.0021 0.0021 0.0021 -2.5083
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Ag 2.27562 -5.97488 3.04400 -0.0027 -0.0027 -0.0027 -2.2561
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Ag -2.75188 0.65116 -2.46102 0.0040 0.0040 0.0040 -2.7332
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Ag 4.99386 -6.23479 3.98786 0.0008 0.0008 0.0008 -2.1081
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Ag -4.91573 2.80995 -3.00944 0.0053 0.0053 0.0053 -2.7752
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Ag 3.80531 0.08184 2.61498 0.0013 0.0013 0.0013 -2.5573
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Ag -0.47332 -2.26010 5.36690 0.0013 0.0013 0.0013 -2.2498
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Ag -4.19418 -2.02240 -1.35498 -0.0029 -0.0029 -0.0029 -2.4909
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Ag -6.65028 2.67510 -0.70880 -0.0038 -0.0038 -0.0038 -2.4886
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Ag -1.64175 -0.68581 3.22343 0.0003 0.0003 0.0003 -2.5166
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Ag -5.52473 4.44943 1.44172 -0.0002 -0.0002 -0.0002 -2.3863
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Ag -2.83479 4.26564 1.89223 -0.0018 -0.0018 -0.0018 -2.5495
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Ag -3.90632 0.23251 4.12648 -0.0014 -0.0014 -0.0014 -2.0554
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Ag -7.61305 1.63536 -3.23876 0.0001 0.0001 0.0001 -2.2499
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Ag -2.28841 -4.17025 -1.28379 -0.0005 -0.0005 -0.0005 -2.4240
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Ag 5.54586 -3.83077 -3.23608 0.0023 0.0023 0.0023 -1.9989
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Ag 7.43216 3.38572 2.64596 -0.0020 -0.0020 -0.0020 -1.7369
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Ag -5.25351 -1.80647 1.94133 -0.0001 -0.0001 -0.0001 -1.8064
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Ag 0.06171 -2.46774 -5.28063 0.0001 0.0001 0.0001 -2.1257
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Ag 5.61519 3.44177 0.32404 0.0059 0.0059 0.0059 -2.1462
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Ag 7.47929 0.10241 -0.87529 -0.0006 -0.0006 -0.0006 -2.1140
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Ag -2.13604 2.26698 -4.70004 0.0013 0.0013 0.0013 -2.4755
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Ag 6.17854 -0.91303 4.90775 0.0028 0.0028 0.0028 -2.2950
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Ag -2.16287 6.62232 -2.51423 0.0027 0.0027 0.0027 -2.2322
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Ag -0.18898 -6.32309 0.18750 0.0004 0.0004 0.0004 -1.9787
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Ag -5.09419 0.72048 -5.38306 -0.0053 -0.0053 -0.0053 -2.2507
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Ag -1.67844 5.45521 -0.26904 -0.0031 -0.0031 -0.0031 -2.4540
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Ag 5.45407 -1.08726 -2.80866 -0.0013 -0.0013 -0.0013 -2.2346
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Ag 0.77051 -3.00292 -2.53148 -0.0010 -0.0010 -0.0010 -2.5263
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Ag 6.19129 -1.58038 2.39543 0.0007 0.0007 0.0007 -2.4950
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Ag 1.30028 -4.14772 4.38822 -0.0036 -0.0036 -0.0036 -2.4587
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Ag -6.81264 2.74611 -5.44620 -0.0086 -0.0086 -0.0086 -2.0025
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Ag 3.81762 2.63773 2.24174 0.0016 0.0016 0.0016 -2.5500
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Ag 0.35507 3.79438 -1.72582 0.0044 0.0044 0.0044 -2.3780
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Ag -1.23567 2.63154 0.34949 0.0027 0.0027 0.0027 -2.7016
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Ag -5.52665 0.22575 -2.15922 0.0058 0.0058 0.0058 -2.4942
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Ag -3.92059 2.07437 -0.21036 0.0068 0.0068 0.0068 -2.7327
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Ag 2.97460 3.08997 -2.14927 0.0044 0.0044 0.0044 -2.3058
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Ag -0.09460 4.65259 1.56039 -0.0008 -0.0008 -0.0008 -2.3255
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Ag 5.89493 0.79399 1.06778 -0.0018 -0.0018 -0.0018 -2.5508
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Ag -1.42254 -2.44703 1.19333 0.0020 0.0020 0.0020 -2.7126
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Ag 0.84675 -1.81931 3.02137 -0.0004 -0.0004 -0.0004 -2.7568
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Ag 2.84203 1.27924 -0.23529 0.0005 0.0005 0.0005 -2.7364
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Ag 3.95315 3.07851 5.08298 0.0021 0.0021 0.0021 -2.1456
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Ag -5.27246 5.99905 -3.16709 -0.0047 -0.0047 -0.0047 -2.2746
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Ag 6.04391 1.74188 4.10628 -0.0039 -0.0039 -0.0039 -2.3666
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Ag -3.98158 6.50707 0.93893 0.0007 0.0007 0.0007 -2.2039
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Ag 6.59087 -2.57012 -0.76233 0.0005 0.0005 0.0005 -2.2774
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Ag -1.74558 2.03006 3.17550 -0.0020 -0.0020 -0.0020 -2.5102
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Ag 0.28762 -3.95053 -0.19909 -0.0013 -0.0013 -0.0013 -2.4106
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Ag 4.85146 1.17075 -2.33931 -0.0004 -0.0004 -0.0004 -2.2109
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Ag 0.30823 1.08214 1.77081 0.0032 0.0032 0.0032 -2.2754
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Ag -7.37136 4.33648 -2.67986 0.0008 0.0008 0.0008 -2.3802
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Ag 3.28624 -2.05725 1.43134 -0.0057 -0.0057 -0.0057 -2.5086
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Ag -3.27431 4.72921 -4.33250 -0.0061 -0.0061 -0.0061 -2.4190
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Ag 2.92352 -2.57629 -4.02629 0.0052 0.0052 0.0052 -2.3579
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Ag -4.44325 2.21393 2.52232 -0.0013 -0.0013 -0.0013 -2.3365
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Ag 0.44781 2.42833 -3.92629 -0.0032 -0.0032 -0.0032 -2.4447
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Ag -0.88161 -4.87882 2.24272 0.0012 0.0012 0.0012 -2.3682
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Ag 1.66035 0.52096 4.26231 -0.0003 -0.0003 -0.0003 -2.5775
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Ag -4.72608 -1.57733 -4.24473 0.0035 0.0035 0.0035 -2.2532
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Ag -2.44784 -0.61775 -5.49177 -0.0020 -0.0020 -0.0020 -2.3184
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Ag -0.59979 5.06224 -4.08308 0.0017 0.0017 0.0017 -2.3104
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Ag 6.66980 -3.52272 4.39172 0.0004 0.0004 0.0004 -2.1781
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Ag -2.30492 -2.64891 -3.77548 -0.0001 -0.0001 -0.0001 -2.4557
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Ag -2.29658 0.16648 0.72918 -0.0011 -0.0011 -0.0011 -2.7490
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Ag 1.80263 -1.58059 6.12848 -0.0007 -0.0007 -0.0007 -2.2249
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Ag 3.92972 0.24328 5.52676 0.0023 0.0023 0.0023 -2.4110
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Ag 2.51889 -5.42840 0.35705 -0.0016 -0.0016 -0.0016 -2.2212
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Ag 4.62497 -0.88310 -0.44820 0.0036 0.0036 0.0036 -2.3475
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Ag -0.42408 0.77519 -1.69870 -0.0037 -0.0037 -0.0037 -2.5236
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Ag 2.97873 -6.06042 5.64061 0.0021 0.0021 0.0021 -2.1263
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Ag 4.38568 -3.76354 5.75170 -0.0012 -0.0012 -0.0012 -2.3772
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Ag 3.73784 -3.45509 -1.28455 0.0034 0.0034 0.0034 -2.5780
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Ag -3.82124 -3.72255 0.97516 -0.0069 -0.0069 -0.0069 -2.2762
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