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{
"id": "jvasp-40096",
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{
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"structure_string": "Be2 Fe1 Ir1\n1.0\n3.839770 0.000000 0.000000\n-0.000000 3.839770 -0.000000\n-0.000000 -0.000000 2.795518\nBe Fe Ir\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Ir\n",
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{
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"structure_string": "Ta4 Fe4 O16\n1.0\n4.549039 -0.000000 0.000000\n-0.000000 4.792800 0.000000\n0.000000 0.000000 11.342695\nTa Fe O\n4 4 16\ndirect\n0.000000 0.750000 0.173115 Ta\n0.000000 0.250000 0.826885 Ta\n0.500000 0.750000 0.673115 Ta\n0.500000 0.250000 0.326885 Ta\n0.000000 0.750000 0.440353 Fe\n0.000000 0.250000 0.559646 Fe\n0.500000 0.250000 0.059647 Fe\n0.500000 0.750000 0.940353 Fe\n0.237212 0.075945 0.440339 O\n0.237212 0.575945 0.559661 O\n0.262788 0.075945 0.940339 O\n0.262788 0.575945 0.059661 O\n0.272491 0.581160 0.813581 O\n0.272491 0.081160 0.186419 O\n0.727510 0.918840 0.813581 O\n0.762788 0.924055 0.559661 O\n0.737213 0.424055 0.940339 O\n0.737213 0.924055 0.059661 O\n0.227509 0.581160 0.313581 O\n0.762788 0.424055 0.440339 O\n0.772491 0.418840 0.686418 O\n0.772491 0.918840 0.313581 O\n0.727510 0.418840 0.186419 O\n0.227509 0.081160 0.686418 O\n",
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{
"id": "jvasp-58584",
"created_at": "2022-09-04T14:38:09.252576Z",
"updated_at": "2022-09-04T14:38:09.252604Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.877297 -0.009158 0.029087\n2.930718 5.094467 0.029087\n2.959754 1.708816 4.833259\nMg Cu O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Mg\n0.625000 0.125000 0.625001 Mg\n0.988769 0.988768 0.011233 Cu\n0.261232 0.261232 0.238769 Cu\n0.625000 0.625000 0.125001 Cu\n0.624999 0.625000 0.625001 Cu\n0.394311 0.394311 0.370407 O\n0.391284 0.859363 0.374677 O\n0.394310 0.394311 0.840972 O\n0.859362 0.391285 0.374677 O\n0.390637 0.858716 0.875325 O\n0.858715 0.390638 0.875325 O\n0.855689 0.855689 0.409030 O\n0.855688 0.855690 0.879594 O\n",
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{
"id": "jvasp-71121",
"created_at": "2022-09-04T14:36:16.037020Z",
"updated_at": "2022-09-04T14:36:16.037045Z",
"structure_string": "Be1 Fe2 Co1\n1.0\n2.786328 0.000000 -0.000000\n-0.000000 2.786328 -0.000000\n-0.000000 -0.000000 5.309025\nBe Fe Co\n1 2 1\ndirect\n0.000000 0.000000 0.505813 Be\n0.000000 0.000000 0.997730 Fe\n0.500000 0.500000 0.267785 Fe\n0.500000 0.500000 0.728668 Co\n",
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{
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"structure_string": "Mo2 C1 N1\n1.0\n2.824769 0.000000 0.000000\n0.000000 2.905658 0.000000\n-0.000000 0.000000 5.022527\nMo C N\n2 1 1\ndirect\n0.500000 0.500000 0.166344 Mo\n0.500000 0.000000 0.667072 Mo\n0.000000 0.000000 0.998474 C\n-0.000000 0.500000 0.501412 N\n",
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{
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"created_at": "2022-09-04T14:35:59.639564Z",
"updated_at": "2022-09-04T14:35:59.639592Z",
"structure_string": "Li6 Si3 Cu3 O12\n1.0\n-5.002985 -0.000171 0.000014\n2.501366 4.332807 -0.000332\n-0.000048 0.000239 -11.410862\nLi Si Cu O\n6 3 3 12\ndirect\n0.546285 0.663235 0.586355 Li\n0.336770 0.883060 0.919706 Li\n0.116959 0.453721 0.253022 Li\n0.663230 0.546289 0.080296 Li\n0.883039 0.336759 0.746973 Li\n0.453714 0.116946 0.413640 Li\n0.816404 0.816401 0.333332 Si\n0.183598 -0.000006 0.666667 Si\n-0.000001 0.183592 -0.000003 Si\n0.999996 0.456430 0.499997 Cu\n0.456476 0.000032 0.166681 Cu\n0.543528 0.543564 0.833317 Cu\n0.292956 0.140278 0.040410 O\n0.707047 0.847328 0.959587 O\n0.311047 0.877355 0.557214 O\n0.566320 0.688951 0.223877 O\n0.152696 0.859723 0.292934 O\n0.847300 0.707025 0.707067 O\n0.140279 0.292960 0.626259 O\n0.122651 0.433712 0.890543 O\n0.877361 0.311057 0.109446 O\n0.688942 0.566292 0.442788 O\n0.859718 0.152673 0.373734 O\n0.433679 0.122637 0.776123 O\n",
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{
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"created_at": "2022-09-04T14:38:34.069026Z",
"updated_at": "2022-09-04T14:38:34.069051Z",
"structure_string": "Sc1 H1 O2\n1.0\n3.251849 0.000000 0.000000\n0.000000 3.251849 0.000000\n0.000000 0.000000 3.898512\nSc H O\n1 1 2\ndirect\n0.500000 0.500000 0.530049 Sc\n0.000000 0.000000 0.846350 H\n0.000000 0.000000 0.591144 O\n0.500000 0.500000 0.042455 O\n",
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{
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"created_at": "2022-09-04T14:36:40.249643Z",
"updated_at": "2022-09-04T14:36:40.249661Z",
"structure_string": "Ti1 Mn5 O12\n1.0\n2.423885 4.210393 0.459609\n-2.454592 4.215986 0.229804\n0.416125 0.722827 9.105253\nTi Mn O\n1 5 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.145070 0.709862 0.499999 Mn\n0.666729 0.666542 -0.000000 Mn\n0.333271 0.333459 -0.000000 Mn\n0.854929 0.290140 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.038058 0.351983 0.889888 O\n0.313927 0.000000 0.110266 O\n0.609959 0.351983 0.110112 O\n0.801921 0.658926 0.601340 O\n0.125768 0.000001 0.625942 O\n0.198078 0.341076 0.398659 O\n0.539154 0.658925 0.398659 O\n0.686071 0.000002 0.889734 O\n0.390040 0.648019 0.889888 O\n-0.038058 0.648018 0.110111 O\n0.460845 0.341077 0.601340 O\n0.874230 0.000001 0.374058 O\n",
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{
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"structure_string": "Li2 Ni3 W1 O8\n1.0\n5.913140 0.029545 0.020891\n2.982156 5.106157 0.020891\n2.982156 1.721749 4.807168\nLi Ni W O\n2 3 1 8\ndirect\n0.131108 0.131108 0.131108 Li\n0.868893 0.868892 0.868892 Li\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000000 0.500000 Ni\n0.500001 0.500000 -0.000000 Ni\n0.500001 0.500000 0.500000 W\n0.271839 0.271838 0.271838 O\n0.266063 0.266063 0.727526 O\n0.266063 0.727527 0.266062 O\n0.727527 0.266062 0.266062 O\n0.272475 0.733938 0.733937 O\n0.733938 0.272473 0.733937 O\n0.733938 0.733937 0.272473 O\n0.728163 0.728162 0.728162 O\n",
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{
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"structure_string": "Li4 Fe2 Cu2 P4 O16\n1.0\n0.000000 4.720725 -0.012504\n6.036889 0.000000 0.000000\n0.000000 -0.198125 -10.126371\nLi Fe Cu P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500001 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 Li\n0.478448 0.750000 0.218232 Fe\n0.521554 0.250000 0.781768 Fe\n0.949813 0.250000 0.283287 Cu\n0.050189 0.750000 0.716712 Cu\n0.576560 0.750000 0.905764 P\n0.084828 0.250000 0.594268 P\n0.915174 0.750000 0.405732 P\n0.423442 0.250000 0.094235 P\n0.702286 0.959701 0.837302 O\n0.702286 0.540299 0.837302 O\n0.229733 0.450500 0.667224 O\n0.229733 0.049500 0.667224 O\n0.760000 0.250000 0.600184 O\n0.801100 0.750000 0.548117 O\n0.198902 0.250000 0.451883 O\n0.748713 0.250000 0.093542 O\n0.770269 0.950500 0.332776 O\n0.770269 0.549500 0.332776 O\n0.297716 0.459701 0.162698 O\n0.297716 0.040299 0.162698 O\n0.251289 0.750000 0.906457 O\n0.711235 0.750000 0.048094 O\n0.240002 0.750000 0.399816 O\n0.288767 0.250000 0.951905 O\n",
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{
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"structure_string": "Mn11 Zn1 O16\n1.0\n-2.927488 2.927488 4.140494\n2.927488 -2.927488 4.140494\n5.952442 5.952442 0.000000\nMn Zn O\n11 1 16\ndirect\n0.500003 -0.000014 -0.006463 Mn\n-0.000000 0.250000 0.875000 Mn\n0.749985 0.750003 0.756463 Mn\n-0.000005 0.496756 0.503536 Mn\n0.500000 0.250000 0.627411 Mn\n0.250013 0.749996 0.756463 Mn\n0.000004 0.003244 0.503536 Mn\n0.246755 0.249996 0.246464 Mn\n0.753244 0.250003 0.246464 Mn\n0.499996 0.500013 -0.006463 Mn\n-0.000001 0.750000 0.122589 Mn\n0.499999 0.749999 0.375000 Zn\n0.239921 0.249988 0.502127 O\n0.499991 0.991104 0.756782 O\n0.741103 0.749991 0.993217 O\n0.500008 0.508895 0.756782 O\n0.230042 0.749986 0.519525 O\n-0.000000 0.515449 0.759420 O\n0.769956 0.750012 0.519525 O\n0.000012 0.010079 0.247872 O\n0.760079 0.250011 0.502127 O\n0.499986 0.480043 0.230475 O\n0.500013 0.019956 0.230475 O\n0.265448 0.250000 -0.009420 O\n-0.000001 0.984551 0.759420 O\n0.734551 0.249999 -0.009420 O\n-0.000012 0.489921 0.247872 O\n0.258895 0.750008 0.993217 O\n",
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}
]
}