49 lines
1.4 KiB
Plaintext
49 lines
1.4 KiB
Plaintext
# AgCu Pancake : energy should be around -90.16 eV
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34 atoms
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2 atom types
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0 30 xlo xhi
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0 30 ylo yhi
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0 30 zlo zhi
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Masses
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1 108 # Ag
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2 64 # Cu
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Atoms # atomic
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1 1 11.8677744 17.4748811 16.8202155
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2 1 14.4591543 12.6388264 17.3769114
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3 1 19.2905996 14.8698601 15.9074284
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4 1 13.6418392 11.2583912 15.0376329
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5 1 16.5295136 18.8875825 16.3408808
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6 1 11.4394217 12.6680604 13.934792
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7 1 17.1772792 13.4579369 17.0971284
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8 1 11.7477198 12.5836832 16.6835448
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9 1 12.3254647 15.127665 12.9151285
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10 1 11.5595413 17.5592601 14.0713777
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11 1 18.9820568 14.9536515 13.1587506
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12 1 14.5653354 15.1189885 11.12255
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13 1 14.5797485 17.250847 17.5049696
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14 1 13.9305528 12.7833817 12.6633235
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15 1 12.8538576 14.9830633 17.6286053
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16 1 16.7229337 16.4525301 12.4627193
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17 1 14.0512024 17.3954338 12.7914031
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18 1 18.2824041 17.2316517 14.6999911
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19 1 16.2210303 18.9719703 13.5921161
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20 1 17.2517138 16.3080477 17.1761679
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21 1 16.0269821 11.057668 13.3712031
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22 1 16.3354169 10.9735982 16.1199203
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23 1 13.9149278 18.8223918 15.2392839
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24 1 18.1136886 12.5568867 14.5759053
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25 1 16.6484505 13.6019749 12.3834541
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26 1 11.0468778 15.1307677 15.4471491
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27 1 15.4347551 14.8811145 18.8773723
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28 2 15.1502129 14.9589199 16.3394186
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29 2 13.2837251 13.9076768 15.1588849
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30 2 13.4425035 16.3005712 15.2145264
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31 2 15.7534979 16.8960911 14.9738557
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32 2 15.4967806 13.024304 14.8837423
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33 2 14.8498337 15.0410649 13.6605697
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34 2 17.0232044 14.8712576 14.7690776
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