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 -6.13700 -2.06197 -1.81564 -0.0033 -0.0033 -0.0033 -2.0489
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Ag 1.78153 -1.86421 6.74765 0.0017 0.0017 0.0017 -2.0134
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Ag 1.73218 1.22871 -3.38019 -0.0011 -0.0011 -0.0011 -2.6803
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Ag 0.59580 -0.54083 -1.46587 -0.0034 -0.0034 -0.0034 -2.7310
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Ag -0.03180 -0.23949 -5.96354 0.0006 0.0006 0.0006 -2.3253
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Ag 5.02681 -4.98688 2.68280 0.0007 0.0007 0.0007 -2.0633
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Ag 5.33149 -0.48622 -4.75824 0.0072 0.0072 0.0072 -1.9760
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Ag -5.23526 6.40883 2.40471 0.0035 0.0035 0.0035 -1.8993
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Ag 3.61428 1.32978 4.94146 -0.0003 -0.0003 -0.0003 -2.3540
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Ag 6.39635 -2.00358 3.67507 0.0022 0.0022 0.0022 -2.0067
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Ag 6.39207 -3.02539 1.22838 -0.0013 -0.0013 -0.0013 -2.2950
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Ag 6.23735 3.59143 -1.76653 0.0045 0.0045 0.0045 -2.1185
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Ag 1.58779 2.09377 -6.14065 -0.0038 -0.0038 -0.0038 -2.1267
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Ag -6.11478 3.78210 -0.74176 0.0025 0.0025 0.0025 -2.0890
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Ag -1.16917 5.44088 -0.30389 0.0074 0.0074 0.0074 -2.4080
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Ag 1.45199 4.74295 -0.50825 0.0075 0.0075 0.0075 -2.3595
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Ag 2.92850 0.69202 -0.79271 0.0070 0.0070 0.0070 -2.6312
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Ag 4.01699 1.80088 -4.18398 -0.0054 -0.0054 -0.0054 -2.4081
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Ag -1.34787 -3.52072 -4.05360 -0.0045 -0.0045 -0.0045 -2.2788
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Ag 0.02710 4.05062 4.58054 0.0022 0.0022 0.0022 -2.3601
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Ag 8.37644 1.97860 1.73046 0.0037 0.0037 0.0037 -2.0819
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Ag -0.18868 -1.60639 3.03112 0.0017 0.0017 0.0017 -2.3734
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Ag 5.60633 1.03216 -1.46272 0.0031 0.0031 0.0031 -2.5051
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Ag 2.62307 3.83175 3.64462 0.0031 0.0031 0.0031 -2.5628
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Ag -3.98843 -3.10466 -3.01944 -0.0029 -0.0029 -0.0029 -2.5314
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Ag -3.21918 4.82916 2.06133 0.0006 0.0006 0.0006 -2.5627
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Ag 0.92891 0.40870 5.74730 -0.0010 -0.0010 -0.0010 -2.5281
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Ag 4.06122 -2.45251 2.41499 0.0018 0.0018 0.0018 -2.4658
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Ag -1.19265 -2.24191 -6.31313 0.0076 0.0076 0.0076 -2.1064
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Ag -3.98864 2.81690 3.96316 0.0066 0.0066 0.0066 -2.2542
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Ag 1.21676 -1.86259 -4.01483 -0.0000 -0.0000 -0.0000 -2.5916
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Ag 0.22078 -3.90250 -1.94161 -0.0026 -0.0026 -0.0026 -2.5342
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Ag 1.14303 3.76735 -3.35423 0.0025 0.0025 0.0025 -2.3360
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Ag 0.69947 -6.27222 1.88447 0.0061 0.0061 0.0061 -2.0167
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Ag -1.15612 1.49818 -4.07727 0.0007 0.0007 0.0007 -2.6149
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Ag -6.56377 0.60787 -2.48808 0.0031 0.0031 0.0031 -2.1275
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Ag -3.88265 4.92410 -1.19510 -0.0039 -0.0039 -0.0039 -2.2824
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Ag -1.25856 -0.59313 0.59703 -0.0030 -0.0030 -0.0030 -2.4187
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Ag 1.73267 2.79650 6.18791 -0.0035 -0.0035 -0.0035 -2.2700
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Ag 7.98217 1.69298 -1.01698 -0.0046 -0.0046 -0.0046 -2.1900
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Ag -0.79494 5.87086 2.86954 0.0023 0.0023 0.0023 -2.3092
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Ag -0.86301 -1.71566 5.54678 -0.0014 -0.0014 -0.0014 -2.4084
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Ag -2.39024 7.61865 1.79695 0.0026 0.0026 0.0026 -2.0654
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Ag 4.78354 -1.36548 -0.41697 0.0006 0.0006 0.0006 -2.5661
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Ag 5.75557 2.41136 0.62984 -0.0016 -0.0016 -0.0016 -2.6206
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Ag 3.14817 -5.96310 1.16479 0.0021 0.0021 0.0021 -2.0740
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Ag -1.21552 0.73377 4.01965 -0.0014 -0.0014 -0.0014 -2.5749
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Ag -1.09753 -4.61467 0.46362 -0.0032 -0.0032 -0.0032 -2.5461
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Ag 3.28662 -3.40182 0.20574 -0.0063 -0.0063 -0.0063 -2.3240
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Ag 0.43449 3.70104 1.73808 -0.0020 -0.0020 -0.0020 -2.5769
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Ag 1.98063 -1.02255 1.21953 -0.0001 -0.0001 -0.0001 -2.7447
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Ag 0.86540 -3.85776 4.68481 0.0003 0.0003 0.0003 -2.2946
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Ag -0.90430 2.37683 6.41841 0.0047 0.0047 0.0047 -2.1199
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Ag 7.18412 1.25229 3.91184 -0.0098 -0.0098 -0.0098 -1.9845
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Ag -3.98586 -1.33923 2.90488 0.0028 0.0028 0.0028 -2.3515
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Ag -4.41479 2.30096 -2.71965 -0.0012 -0.0012 -0.0012 -2.4753
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Ag -0.34851 -6.78901 -1.86030 -0.0055 -0.0055 -0.0055 -2.0204
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Ag -4.00232 -0.23089 -3.20262 -0.0004 -0.0004 -0.0004 -2.6262
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Ag 4.26275 0.16888 1.74582 -0.0084 -0.0084 -0.0084 -2.7732
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Ag -3.72865 -0.94243 0.30654 -0.0018 -0.0018 -0.0018 -2.5312
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Ag 3.34709 3.17958 -1.58577 -0.0039 -0.0039 -0.0039 -2.6095
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Ag -2.00209 3.66521 -2.92284 0.0044 0.0044 0.0044 -2.3938
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Ag 0.13727 2.26846 -1.39321 -0.0020 -0.0020 -0.0020 -2.7584
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Ag 7.13597 -0.13120 1.05644 -0.0020 -0.0020 -0.0020 -2.4668
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Ag -1.76098 -2.39009 -1.07372 -0.0036 -0.0036 -0.0036 -2.6724
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Ag 4.32437 5.39251 2.09534 -0.0039 -0.0039 -0.0039 -1.7184
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Ag -1.58440 -4.36210 4.23540 -0.0066 -0.0066 -0.0066 -2.0358
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Ag -2.09139 0.81422 -1.41771 0.0043 0.0043 0.0043 -2.7823
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Ag -5.72852 0.84779 2.47845 0.0000 0.0000 0.0000 -2.3713
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Ag -4.59720 0.22752 4.88309 -0.0058 -0.0058 -0.0058 -2.0423
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Ag -2.83530 -3.57376 2.21728 0.0028 0.0028 0.0028 -2.2429
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Ag -3.95206 -3.71913 -0.16448 0.0003 0.0003 0.0003 -2.4146
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Ag 5.06769 2.82510 3.24942 -0.0050 -0.0050 -0.0050 -2.4373
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Ag -3.07420 1.10409 1.96634 0.0008 0.0008 0.0008 -2.6633
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Ag 2.73737 2.42266 1.02876 -0.0000 -0.0000 -0.0000 -2.6626
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Ag -1.49743 -1.16221 -3.63237 0.0019 0.0019 0.0019 -2.5802
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Ag -2.95495 6.87810 4.12124 -0.0038 -0.0038 -0.0038 -2.0363
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Ag -2.30087 -5.07710 -2.07874 -0.0047 -0.0047 -0.0047 -2.4876
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Ag -3.98001 -2.44576 -5.65472 0.0038 0.0038 0.0038 -2.0884
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Ag 3.61341 -0.78373 -2.88612 0.0045 0.0045 0.0045 -2.5431
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Ag 2.86029 -0.17464 -5.76485 0.0004 0.0004 0.0004 -2.3992
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Ag 1.31720 -3.72339 2.00359 -0.0046 -0.0046 -0.0046 -2.6616
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Ag -2.89819 0.15192 -5.83351 -0.0083 -0.0083 -0.0083 -2.3337
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Ag 1.50818 1.31770 3.20504 -0.0011 -0.0011 -0.0011 -2.7565
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Ag -2.25831 2.98076 0.13233 -0.0055 -0.0055 -0.0055 -2.6478
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Ag 0.30133 -5.55360 -4.11394 -0.0013 -0.0013 -0.0013 -2.0368
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Ag 1.98988 -1.64564 3.82232 -0.0021 -0.0021 -0.0021 -2.3091
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Ag -6.28943 3.26130 1.68555 0.0012 0.0012 0.0012 -2.0975
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Ag -5.18767 1.17143 -0.31152 -0.0043 -0.0043 -0.0043 -2.6075
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