92 lines
8.9 KiB
Plaintext
92 lines
8.9 KiB
Plaintext
89
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Ag Ag pos(A), vel, pot-en(eV)
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Ag -28.28952 -50.70865 3.45833 -0.0017 -0.0017 -0.0017 -2.8948
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Ag -25.93914 -48.95267 4.71764 0.0009 0.0009 0.0009 -2.9252
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Ag -26.89695 -49.58640 7.23923 -0.0006 -0.0006 -0.0006 -2.8537
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Ag -30.00357 -52.68574 4.12386 -0.0018 -0.0018 -0.0018 -2.8873
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Ag -30.39056 -50.95115 1.78312 0.0003 0.0003 0.0003 -2.7991
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Ag -27.54093 -46.82112 3.63260 0.0004 0.0004 0.0004 -2.8944
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Ag -26.42127 -51.93466 5.35940 0.0038 0.0038 0.0038 -2.8636
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Ag -28.86223 -49.21727 0.05624 0.0019 0.0019 0.0019 -2.9480
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Ag -29.08525 -51.24914 6.27742 -0.0002 -0.0002 -0.0002 -2.9271
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Ag -24.55090 -47.27019 2.95838 0.0011 0.0011 0.0011 -2.6621
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Ag -25.39802 -51.11259 2.89013 -0.0007 -0.0007 -0.0007 -2.9115
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Ag -29.63634 -48.29663 2.69306 0.0024 0.0024 0.0024 -2.9072
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Ag -31.24198 -50.27189 4.24444 -0.0020 -0.0020 -0.0020 -2.8711
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Ag -23.76438 -47.37534 5.81365 0.0013 0.0013 0.0013 -2.4502
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Ag -29.78045 -49.09075 7.96490 0.0039 0.0039 0.0039 -2.6527
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Ag -29.39341 -55.47955 3.58009 0.0039 0.0039 0.0039 -2.7041
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Ag -29.31703 -54.57871 -1.31201 0.0037 0.0037 0.0037 -2.5846
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Ag -26.55578 -43.18742 3.54633 -0.0028 -0.0028 -0.0028 -2.2561
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Ag -25.56346 -48.38028 10.82288 -0.0024 -0.0024 -0.0024 -1.9089
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Ag -23.89146 -49.36660 1.21331 0.0011 0.0011 0.0011 -2.5628
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Ag -28.29969 -57.17833 7.84340 0.0019 0.0019 0.0019 -2.0942
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Ag -22.58308 -51.55890 2.29960 0.0009 0.0009 0.0009 -2.2990
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Ag -30.06352 -55.99004 6.31440 0.0016 0.0016 0.0016 -2.4563
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Ag -30.91787 -45.99728 1.71991 0.0016 0.0016 0.0016 -2.5649
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Ag -32.04073 -50.84106 6.93300 -0.0015 -0.0015 -0.0015 -2.5371
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Ag -26.47562 -46.74030 6.56881 0.0003 0.0003 0.0003 -2.7065
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Ag -23.25734 -49.56296 3.99846 -0.0005 -0.0005 -0.0005 -2.5692
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Ag -27.82559 -44.62978 5.51601 0.0009 0.0009 0.0009 -2.4558
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Ag -27.90285 -52.72498 10.82962 0.0040 0.0040 0.0040 -2.1799
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Ag -24.12142 -50.17656 6.55494 0.0035 0.0035 0.0035 -2.6585
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Ag -24.70216 -53.85073 2.46043 -0.0000 -0.0000 -0.0000 -2.5461
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Ag -26.02028 -45.18404 1.83869 -0.0014 -0.0014 -0.0014 -2.6654
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Ag -23.71272 -52.41641 4.64846 0.0013 0.0013 0.0013 -2.5799
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Ag -27.15822 -52.33998 8.13118 0.0032 0.0032 0.0032 -2.8186
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Ag -27.29469 -52.57790 -1.70238 0.0003 0.0003 0.0003 -2.4790
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Ag -30.16745 -46.20190 4.43304 0.0016 0.0016 0.0016 -2.6363
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Ag -28.17535 -46.59552 0.89779 -0.0020 -0.0020 -0.0020 -2.9332
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Ag -32.69716 -47.97987 3.21458 -0.0016 -0.0016 -0.0016 -2.4694
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Ag -31.65038 -48.05477 5.96353 -0.0018 -0.0018 -0.0018 -2.5162
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Ag -30.58825 -50.43221 -4.20420 -0.0024 -0.0024 -0.0024 -2.2369
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Ag -29.80818 -51.82077 -0.84309 0.0012 0.0012 0.0012 -2.9362
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Ag -26.68924 -48.81240 1.94626 -0.0007 -0.0007 -0.0007 -2.9066
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Ag -25.94069 -49.67376 -0.48019 0.0014 0.0014 0.0014 -2.5638
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Ag -31.52967 -55.62265 1.85138 0.0003 0.0003 0.0003 -2.3602
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Ag -32.34148 -53.07218 2.19060 -0.0009 -0.0009 -0.0009 -2.6691
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Ag -25.38072 -47.18584 0.01616 0.0011 0.0011 0.0011 -2.5209
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Ag -29.62674 -47.77161 -3.39831 -0.0007 -0.0007 -0.0007 -2.3625
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Ag -26.70078 -55.95334 2.75782 -0.0017 -0.0017 -0.0017 -2.4800
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Ag -27.27238 -53.28731 3.24713 -0.0033 -0.0033 -0.0033 -2.8605
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Ag -27.55788 -51.59401 0.93231 -0.0011 -0.0011 -0.0011 -2.9257
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Ag -31.71241 -48.46547 0.85701 -0.0001 -0.0001 -0.0001 -2.5979
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Ag -33.33134 -50.49078 2.52391 0.0002 0.0002 0.0002 -2.5023
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Ag -30.93192 -53.36900 6.71378 0.0025 0.0025 0.0025 -2.6636
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Ag -24.75320 -52.01528 0.36675 -0.0051 -0.0051 -0.0051 -2.4945
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Ag -30.01312 -51.89968 8.90938 0.0014 0.0014 0.0014 -2.5319
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Ag -32.99804 -52.32314 4.76787 -0.0006 -0.0006 -0.0006 -2.5308
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Ag -27.04660 -54.38109 0.39749 -0.0029 -0.0029 -0.0029 -2.6046
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Ag -25.13159 -45.17925 4.75595 -0.0002 -0.0002 -0.0002 -2.4438
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Ag -31.92937 -53.93838 -0.48827 -0.0044 -0.0044 -0.0044 -2.5440
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Ag -29.49263 -53.51497 1.49394 -0.0009 -0.0009 -0.0009 -2.9178
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Ag -28.77670 -44.48294 2.68050 -0.0020 -0.0020 -0.0020 -2.6666
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Ag -28.03725 -50.30371 9.71415 0.0023 0.0023 0.0023 -2.5346
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Ag -29.59641 -52.88516 -3.50462 -0.0010 -0.0010 -0.0010 -2.4439
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Ag -31.84072 -54.74513 4.55205 -0.0011 -0.0011 -0.0011 -2.4740
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Ag -28.18877 -53.96048 5.95010 -0.0019 -0.0019 -0.0019 -2.9166
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Ag -32.34739 -50.97085 0.13015 -0.0020 -0.0020 -0.0020 -2.4827
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Ag -25.48507 -53.42965 9.94640 -0.0035 -0.0035 -0.0035 -2.2491
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Ag -28.91352 -56.20127 1.09124 0.0023 0.0023 0.0023 -2.3640
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Ag -26.35276 -54.99786 7.76438 0.0000 0.0000 0.0000 -2.5726
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Ag -28.85457 -48.50413 5.39441 -0.0030 -0.0030 -0.0030 -2.8979
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Ag -29.18934 -46.33560 7.20528 0.0015 0.0015 0.0015 -2.4399
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Ag -33.69438 -49.48556 5.29431 0.0002 0.0002 0.0002 -2.3053
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Ag -26.79436 -44.92195 -0.90022 -0.0026 -0.0026 -0.0026 -2.4559
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Ag -27.59137 -47.67853 8.99474 0.0004 0.0004 0.0004 -2.4917
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Ag -29.47810 -44.33475 -0.13833 -0.0000 -0.0000 -0.0000 -2.4711
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Ag -30.29981 -46.87179 -0.92933 0.0010 0.0010 0.0010 -2.6568
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Ag -24.49228 -52.89370 7.36397 -0.0020 -0.0020 -0.0020 -2.5650
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Ag -27.46775 -47.48825 -1.68847 -0.0025 -0.0025 -0.0025 -2.6707
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Ag -27.34587 -42.98033 0.85183 0.0020 0.0020 0.0020 -2.2632
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Ag -28.28279 -50.10577 -2.50686 0.0024 0.0024 0.0024 -2.6377
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Ag -24.88418 -48.16575 8.22872 0.0002 0.0002 0.0002 -2.4688
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Ag -31.56731 -54.75010 -2.99271 -0.0024 -0.0024 -0.0024 -2.1037
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Ag -25.54446 -54.57573 5.06272 -0.0044 -0.0044 -0.0044 -2.6697
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Ag -31.01259 -49.36936 -1.66750 -0.0006 -0.0006 -0.0006 -2.6377
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Ag -28.79040 -45.19084 -2.60264 -0.0029 -0.0029 -0.0029 -2.2476
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Ag -27.50281 -56.64969 5.32818 -0.0007 -0.0007 -0.0007 -2.4555
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Ag -25.29903 -50.82883 9.06252 -0.0011 -0.0011 -0.0011 -2.5677
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Ag -32.10121 -52.15253 -2.64193 0.0006 0.0006 0.0006 -2.4251
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Ag -29.17904 -54.66956 8.42545 -0.0023 -0.0023 -0.0023 -2.5228
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