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{
"id": "jvasp-11659",
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"structure_string": "Mg2 Mn4 O8\n1.0\n5.725752 0.037179 -0.077782\n-0.067912 5.726232 0.026907\n-2.884436 -2.787234 4.473461\nMg Mn O\n2 4 8\ndirect\n-0.000004 0.000001 0.000002 Mg\n-0.000004 0.500002 0.500003 Mg\n0.499999 -0.000002 0.000004 Mn\n0.499999 0.000000 0.500002 Mn\n-0.000007 -0.000001 0.500001 Mn\n0.499999 0.500003 0.000005 Mn\n0.759227 0.781081 0.058451 O\n0.253992 0.737684 0.970440 O\n0.722627 0.200782 0.441563 O\n0.232744 0.216435 0.470432 O\n0.277367 0.799220 0.558443 O\n0.746003 0.262318 0.029568 O\n0.767250 0.783570 0.529576 O\n0.240766 0.218921 0.941557 O\n",
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"structure_string": "Th4 Al4 C6\n1.0\n3.528932 0.000000 0.000000\n0.000000 5.431701 0.000000\n0.000000 -0.000000 11.624182\nTh Al C\n4 4 6\ndirect\n0.500000 0.826626 0.149528 Th\n0.000000 0.326626 0.350472 Th\n0.000000 0.673373 0.649528 Th\n0.500000 0.173373 0.850472 Th\n0.500000 0.816768 0.415162 Al\n0.000000 0.316768 0.084838 Al\n0.500000 0.183232 0.584838 Al\n0.000000 0.683232 0.915161 Al\n0.000000 0.166217 0.686923 C\n0.500000 0.666217 0.813077 C\n0.000000 0.833783 0.313077 C\n0.000000 0.000000 0.000000 C\n0.500000 0.333783 0.186923 C\n0.500000 0.500000 0.500000 C\n",
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{
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{
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"created_at": "2022-09-04T14:37:28.145573Z",
"updated_at": "2022-09-04T14:37:28.145595Z",
"structure_string": "Nd2 H6 O6\n1.0\n3.224067 -5.584247 0.000000\n3.224067 5.584247 -0.000000\n0.000000 0.000000 3.736812\nNd H O\n2 6 6\ndirect\n0.333333 0.666668 0.750000 Nd\n0.666668 0.333333 0.250000 Nd\n0.865359 0.137701 0.750000 H\n0.862300 0.727659 0.750000 H\n0.272343 0.134642 0.750000 H\n0.134642 0.862300 0.250000 H\n0.137701 0.272343 0.250000 H\n0.727659 0.865359 0.250000 H\n0.918116 0.308439 0.750000 O\n0.691562 0.609678 0.750000 O\n0.390323 0.081885 0.750000 O\n0.081885 0.691562 0.250000 O\n0.308439 0.390323 0.250000 O\n0.609678 0.918116 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:37:27.964678Z",
"updated_at": "2022-09-04T14:37:27.964704Z",
"structure_string": "Ba2 Tl2 Cu2 O8\n1.0\n3.686763 -0.000000 -0.477857\n-0.061937 3.686243 -0.477857\n0.214767 0.218406 16.117957\nBa Tl Cu O\n2 2 2 8\ndirect\n0.117802 0.117802 0.235604 Ba\n0.882197 0.882198 0.764396 Ba\n0.287418 0.287419 0.574836 Tl\n0.712581 0.712582 0.425164 Tl\n0.544151 0.544151 0.088303 Cu\n0.455849 0.455849 0.911697 Cu\n0.778491 0.778492 0.556983 O\n0.943231 0.443232 0.886463 O\n0.556769 0.056769 0.113537 O\n0.649053 0.649053 0.298106 O\n0.056769 0.556769 0.113537 O\n0.443230 0.943231 0.886463 O\n0.350946 0.350947 0.701894 O\n0.221508 0.221509 0.443018 O\n",
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"created_at": "2022-09-04T14:37:05.705046Z",
"updated_at": "2022-09-04T14:37:05.705070Z",
"structure_string": "Nb2 P2 O10\n1.0\n6.504295 0.000000 0.000000\n0.000000 6.504295 -0.000000\n0.000000 -0.000000 4.117603\nNb P O\n2 2 10\ndirect\n0.000000 0.500000 0.220804 Nb\n0.500000 0.000000 0.779195 Nb\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.307078 0.715781 O\n0.500000 0.692923 0.715781 O\n0.500000 0.000000 0.217269 O\n0.000000 0.500000 0.782730 O\n0.192923 0.000000 0.715781 O\n0.807078 0.000000 0.715781 O\n0.692923 0.500000 0.284218 O\n0.000000 0.807078 0.284218 O\n0.000000 0.192923 0.284218 O\n0.307078 0.500000 0.284218 O\n",
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{
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"created_at": "2022-09-04T14:37:27.978486Z",
"updated_at": "2022-09-04T14:37:27.978514Z",
"structure_string": "Ba1 Ca1 Co4 O8\n1.0\n2.641549 -4.575296 -0.000000\n2.641549 4.575296 0.000000\n-0.000000 -0.000000 7.749837\nBa Ca Co O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.766200 Co\n0.666667 0.333333 0.766200 Co\n0.333333 0.666667 0.233801 Co\n0.666667 0.333333 0.233801 Co\n0.660923 -0.000000 0.697824 O\n-0.000000 0.660923 0.697824 O\n0.339078 0.339078 0.697824 O\n0.339078 -0.000000 0.302177 O\n0.660922 0.660922 0.302177 O\n-0.000000 0.339078 0.302177 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"created_at": "2022-09-04T14:37:09.400060Z",
"updated_at": "2022-09-04T14:37:09.400079Z",
"structure_string": "Ta4 O10\n1.0\n10.361446 0.000000 0.000000\n0.000000 5.036093 -1.918935\n0.000000 0.000000 3.837870\nTa O\n4 10\ndirect\n0.176908 0.764957 0.882479 Ta\n0.323092 0.235043 0.617522 Ta\n0.676908 0.235043 0.617522 Ta\n0.823092 0.764957 0.882479 Ta\n0.000000 -0.114436 -0.057218 O\n0.138343 0.406267 0.703134 O\n0.206321 0.857989 0.428995 O\n0.293679 0.142008 0.071005 O\n0.361657 0.593732 0.796867 O\n0.500000 0.114436 0.557218 O\n0.638343 0.593732 0.796867 O\n0.861658 0.406267 0.703134 O\n0.706322 0.142008 0.071005 O\n0.793679 0.857989 0.428995 O\n",
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{
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"structure_string": "Ca2 Bi4 O8\n1.0\n3.536965 -0.000039 -0.000090\n-1.768449 6.895667 0.036737\n-1.768344 -1.832183 10.016126\nCa Bi O\n2 4 8\ndirect\n0.490266 0.733521 0.239022 Ca\n0.490177 0.233416 0.739087 Ca\n0.702306 0.309912 0.086728 Bi\n0.702153 0.809830 0.586642 Bi\n0.278282 0.157103 0.391473 Bi\n0.278133 0.657022 0.891391 Bi\n0.668136 0.573392 0.755028 O\n0.668281 0.073526 0.255090 O\n0.312161 0.893416 0.723020 O\n0.312309 0.393547 0.223088 O\n0.120605 0.337217 0.896090 O\n0.120663 0.837284 0.396072 O\n0.859853 0.629725 0.082032 O\n0.859790 0.129655 0.582043 O\n",
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"structure_string": "Li2 Co2 Ni2 O8\n1.0\n5.700810 0.000000 -0.000000\n2.850405 4.908301 -0.000263\n2.850405 1.635852 4.627678\nLi Co Ni O\n2 2 2 8\ndirect\n0.121159 0.128840 0.128841 Li\n0.878839 0.871159 0.871160 Li\n0.500000 -0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000001 0.499999 0.500001 Ni\n0.499999 0.499999 0.500001 Ni\n0.265327 0.263567 0.263567 O\n0.263564 0.263340 0.709528 O\n0.263564 0.709527 0.263341 O\n0.707538 0.263567 0.263567 O\n0.292460 0.736432 0.736434 O\n0.736434 0.736659 0.290473 O\n0.736434 0.290472 0.736660 O\n0.734671 0.736432 0.736434 O\n",
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}