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{
"id": "jvasp-22216",
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{
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"structure_string": "Hg3 Br6\n1.0\n7.098200 0.000001 0.000000\n-3.549101 6.147222 0.000000\n0.000000 -0.000000 6.194502\nHg Br\n3 6\ndirect\n0.333333 0.666667 0.478699 Hg\n0.000000 0.000000 0.477472 Hg\n0.666667 0.333333 0.476869 Hg\n0.000388 0.333596 0.218298 Br\n0.999622 0.666532 0.737055 Br\n0.333468 0.333089 0.737055 Br\n0.333208 0.999612 0.218298 Br\n0.666911 0.000378 0.737055 Br\n0.666404 0.666792 0.218298 Br\n",
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{
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"structure_string": "Sn7 Ru1\n1.0\n6.465368 -0.000000 0.000000\n-0.000000 6.465368 0.000000\n-0.000000 -0.000000 6.465368\nSn Ru\n7 1\ndirect\n0.230357 0.230357 0.730357 Sn\n0.000000 0.500000 0.000000 Sn\n0.230357 0.769644 0.269643 Sn\n0.500000 0.000000 0.000000 Sn\n0.769644 0.230357 0.269643 Sn\n0.500000 0.500000 0.500000 Sn\n0.769644 0.769644 0.730357 Sn\n0.000000 0.000000 0.500000 Ru\n",
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"structure_string": "Ti4 V4 O16\n1.0\n5.340174 0.000230 -0.021803\n-2.659202 9.476366 2.680644\n0.022171 0.000086 5.340169\nTi V O\n4 4 16\ndirect\n0.874986 0.249967 0.619673 Ti\n0.375007 0.250009 0.130293 Ti\n0.630327 0.749968 0.375009 Ti\n0.119707 0.750012 0.874991 Ti\n0.748461 0.496839 0.751590 V\n0.498411 0.996838 0.501541 V\n0.251559 0.503175 0.248444 V\n0.001555 0.003175 0.998443 V\n0.854138 0.708192 0.645883 O\n0.352189 0.704466 0.147807 O\n0.145940 0.291825 0.354113 O\n0.647751 0.295534 0.852189 O\n0.397812 0.795534 0.602249 O\n0.895885 0.791824 0.104060 O\n0.015598 0.537170 0.978299 O\n0.228490 0.962822 0.771783 O\n0.271701 0.037168 0.234403 O\n0.765452 0.037181 0.728430 O\n0.102193 0.204465 0.897809 O\n0.734326 0.962826 0.265394 O\n0.478217 0.462822 0.021507 O\n0.984603 0.462825 0.515675 O\n0.521571 0.537182 0.484545 O\n0.604116 0.208192 0.395862 O\n",
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{
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"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.485355 -0.000000 0.000000\n-1.742678 3.013983 -0.000000\n0.000000 -0.000000 25.726147\nTe Mo W Se\n4 2 1 2\ndirect\n0.672559 0.345118 0.011105 Te\n0.671248 0.342498 0.539609 Te\n0.671248 0.342498 0.154356 Te\n0.672559 0.345118 0.682860 Te\n0.338717 0.677436 0.082685 Mo\n0.338717 0.677436 0.611281 Mo\n0.656500 0.313002 0.346982 W\n0.322521 0.645043 0.410303 Se\n0.322521 0.645043 0.283662 Se\n",
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{
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"structure_string": "Na5 Zr2 F13\n1.0\n5.526555 0.000000 -0.000000\n-2.763278 5.772344 -0.736705\n-0.000000 0.014628 8.468564\nNa Zr F\n5 2 13\ndirect\n0.336517 0.673035 0.071868 Na\n0.777787 0.555574 0.345397 Na\n0.500000 0.000000 0.500000 Na\n0.222213 0.444426 0.654602 Na\n0.663483 0.326965 0.928131 Na\n0.926686 0.853370 0.755192 Zr\n0.073315 0.146629 0.244807 Zr\n0.177026 0.875316 0.250885 F\n0.907108 0.268060 0.431336 F\n0.360953 0.268060 0.431336 F\n0.639047 0.731939 0.568663 F\n0.056789 0.636080 0.856998 F\n0.943211 0.363919 0.143001 F\n0.301709 0.124683 0.749114 F\n0.092892 0.731939 0.568663 F\n0.822975 0.124683 0.749114 F\n0.698291 0.875316 0.250885 F\n0.420709 0.363919 0.143001 F\n0.579291 0.636080 0.856998 F\n0.000000 0.000000 0.000000 F\n",
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"structure_string": "Li4 Mn4 F16\n1.0\n4.504509 -0.000000 0.000000\n0.000000 5.306791 0.000000\n0.000000 0.000000 11.303804\nLi Mn F\n4 4 16\ndirect\n0.000000 0.250000 0.330217 Li\n0.000000 0.750000 0.669783 Li\n0.500000 0.750000 0.169783 Li\n0.500000 0.250000 0.830217 Li\n0.000000 0.250000 0.074045 Mn\n0.000000 0.750000 0.925954 Mn\n0.500000 0.750000 0.425954 Mn\n0.500000 0.250000 0.574045 Mn\n0.225984 0.600749 0.810836 F\n0.225984 0.100749 0.189163 F\n0.274016 0.600749 0.310836 F\n0.274016 0.100749 0.689163 F\n0.263264 0.604590 0.547497 F\n0.263264 0.104590 0.452503 F\n0.736736 0.395410 0.452503 F\n0.774017 0.899251 0.810836 F\n0.725984 0.399251 0.689163 F\n0.725984 0.899251 0.310836 F\n0.236736 0.604590 0.047497 F\n0.774017 0.399251 0.189163 F\n0.763265 0.395410 0.952503 F\n0.763265 0.895410 0.047497 F\n0.736736 0.895410 0.547497 F\n0.236736 0.104590 0.952503 F\n",
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{
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{
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}