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{
"id": "jvasp-98185",
"created_at": "2022-09-04T14:38:11.167609Z",
"updated_at": "2022-09-04T14:38:11.167633Z",
"structure_string": "Er4 Mn8\n1.0\n5.028263 -0.000000 0.000000\n-2.514131 4.354603 -0.000000\n0.000000 -0.000000 8.280937\nEr Mn\n4 8\ndirect\n0.333333 0.666666 0.437095 Er\n0.666666 0.333333 0.937095 Er\n0.666666 0.333333 0.562906 Er\n0.333333 0.666666 0.062906 Er\n0.169083 0.338167 0.750000 Mn\n0.830916 0.169083 0.250000 Mn\n0.338167 0.169083 0.250000 Mn\n0.661833 0.830916 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.830916 0.661833 0.250000 Mn\n0.169083 0.830916 0.750000 Mn\n",
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{
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{
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"structure_string": "Ho2 Te1 O2\n1.0\n3.881684 -0.000250 -0.000051\n-1.941058 3.361850 0.000102\n-0.000095 0.000159 7.175824\nHo Te O\n2 1 2\ndirect\n0.333288 0.666677 0.304820 Ho\n0.666613 0.333323 0.695179 Ho\n0.000010 0.000000 -0.000000 Te\n0.333283 0.666665 0.619763 O\n0.666600 0.333335 0.380236 O\n",
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{
"id": "jvasp-44786",
"created_at": "2022-09-04T14:38:11.172373Z",
"updated_at": "2022-09-04T14:38:11.172395Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184448 0.007013 0.042159\n2.579349 4.497277 -0.042159\n-0.129544 0.223288 10.172443\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.327078 0.656247 0.333562 Li\n0.343754 0.672922 0.833562 Li\n0.653995 0.335560 0.587108 Li\n0.664441 0.346006 0.087108 Li\n0.329238 0.006804 0.115326 Mn\n0.993197 0.670763 0.615326 Mn\n0.678538 0.003613 0.866973 Fe\n0.996388 0.321463 0.366973 Fe\n0.664061 0.000325 0.372885 B\n0.998256 0.668979 0.124240 B\n-0.000325 0.335940 0.872884 B\n0.331021 0.001745 0.624240 B\n0.752506 0.935668 0.084623 O\n0.064332 0.247495 0.584623 O\n0.257788 0.065660 0.897466 O\n0.016943 0.586456 0.839347 O\n0.577133 0.034551 0.652614 O\n0.274354 0.644854 0.138202 O\n0.355147 0.725646 0.638202 O\n0.644616 0.276384 0.385755 O\n0.723617 0.355384 0.885754 O\n0.413545 0.983058 0.339348 O\n0.965450 0.422867 0.152614 O\n0.934342 0.742212 0.397466 O\n",
"nsites": 24,
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"elements": [
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{
"id": "jvasp-9755",
"created_at": "2022-09-04T14:38:11.181603Z",
"updated_at": "2022-09-04T14:38:11.181632Z",
"structure_string": "Na2 Mg1 C2 O6\n1.0\n4.520541 -0.017829 4.145139\n1.812033 4.141515 4.145139\n-0.027380 -0.017829 6.133248\nNa Mg C O\n2 1 2 6\ndirect\n0.197796 0.197797 0.197797 Na\n0.802203 0.802204 0.802204 Na\n0.000000 0.000000 0.000000 Mg\n0.590521 0.590523 0.590523 C\n0.409477 0.409478 0.409478 C\n0.193264 0.700600 0.338603 O\n0.700599 0.338603 0.193265 O\n0.338603 0.193265 0.700600 O\n0.806735 0.299401 0.661398 O\n0.661396 0.806736 0.299401 O\n0.299400 0.661398 0.806736 O\n",
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{
"id": "jvasp-76959",
"created_at": "2022-09-04T14:38:11.186030Z",
"updated_at": "2022-09-04T14:38:11.186050Z",
"structure_string": "In1 Cu1 Rh2\n1.0\n-8.557734 0.000000 -4.940810\n-8.380575 -0.200569 4.633961\n-5.551553 7.801110 -0.266047\nIn Cu Rh\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.758629 -0.000000 -0.000000 Rh\n0.241371 -0.000000 -0.000000 Rh\n",
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{
"id": "jvasp-77392",
"created_at": "2022-09-04T14:38:11.193633Z",
"updated_at": "2022-09-04T14:38:11.193656Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-3.945041 -5.199622 -10.772450\n-3.651644 -2.296303 -1.341298\n-2.346883 1.392894 -3.599700\nSr P Au\n2 1 1\ndirect\n0.782737 -0.043710 -0.043709 Sr\n0.217263 0.043710 0.043709 Sr\n-0.000000 -0.000000 -0.000000 P\n0.500000 -0.000000 0.000000 Au\n",
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{
"id": "jvasp-37536",
"created_at": "2022-09-04T14:38:11.193950Z",
"updated_at": "2022-09-04T14:38:11.193975Z",
"structure_string": "Ti2 Pd2\n1.0\n2.789735 0.000000 0.000000\n0.000000 4.585622 0.000000\n0.000000 0.000000 4.879904\nTi Pd\n2 2\ndirect\n0.000000 0.750000 0.201735 Ti\n0.000000 0.250000 0.798264 Ti\n0.499999 0.750000 0.689521 Pd\n0.499999 0.250000 0.310478 Pd\n",
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{
"id": "jvasp-12764",
"created_at": "2022-09-04T14:38:11.194538Z",
"updated_at": "2022-09-04T14:38:11.194552Z",
"structure_string": "Ba4 Br8\n1.0\n4.959687 -0.000000 0.000000\n0.000000 8.274817 0.000000\n0.000000 0.000000 9.990619\nBa Br\n4 8\ndirect\n0.250000 0.748109 0.619302 Ba\n0.750000 0.251892 0.380698 Ba\n0.250000 0.248108 0.880698 Ba\n0.750000 0.751892 0.119302 Ba\n0.250000 0.529210 0.329412 Br\n0.750000 0.470790 0.670588 Br\n0.250000 0.029210 0.170588 Br\n0.750000 0.970791 0.829412 Br\n0.750000 0.856260 0.430457 Br\n0.250000 0.143740 0.569543 Br\n0.750000 0.356260 0.069543 Br\n0.250000 0.643740 0.930457 Br\n",
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{
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"structure_string": "Br2 F6\n1.0\n4.656692 -0.077646 0.000000\n-1.512911 4.404760 0.000000\n0.000000 0.000000 6.162988\nBr F\n2 6\ndirect\n0.835829 0.164170 0.258638 Br\n0.164171 0.835829 0.758638 Br\n0.074445 0.925555 0.094222 F\n0.925555 0.074444 0.594222 F\n0.265890 0.734109 0.494224 F\n0.734109 0.265890 0.994224 F\n0.380903 0.619096 0.882917 F\n0.619096 0.380903 0.382917 F\n",
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{
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"created_at": "2022-09-04T14:38:11.198263Z",
"updated_at": "2022-09-04T14:38:11.198277Z",
"structure_string": "Nb1 Cr1 F6\n1.0\n5.008345 -0.000000 -2.728539\n-1.486504 4.782658 -2.728539\n-0.143057 -0.194272 5.698191\nNb Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000000 Cr\n0.746873 0.746874 0.493744 F\n0.253127 0.253127 0.506256 F\n0.253089 0.253089 -0.000000 F\n0.746911 0.253089 -0.000000 F\n0.253089 0.746912 0.000000 F\n0.746911 0.746912 -0.000000 F\n",
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{
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"structure_string": "Nb6 Cl16\n1.0\n3.396649 -5.883168 0.000000\n3.396649 5.883168 0.000000\n0.000000 0.000000 12.282825\nNb Cl\n6 16\ndirect\n0.527895 0.055791 0.746319 Nb\n0.944209 0.472105 0.746319 Nb\n0.527895 0.472105 0.746319 Nb\n0.472105 0.944209 0.253682 Nb\n0.472105 0.527895 0.253682 Nb\n0.055791 0.527895 0.253682 Nb\n0.167863 0.832137 0.118677 Cl\n0.832137 0.664274 0.881324 Cl\n0.832137 0.167863 0.881324 Cl\n0.335727 0.167863 0.881324 Cl\n0.835834 0.671668 0.364327 Cl\n0.328332 0.164166 0.364327 Cl\n0.835834 0.164166 0.364327 Cl\n0.671668 0.835834 0.635673 Cl\n0.164166 0.835834 0.635673 Cl\n0.664274 0.832137 0.118677 Cl\n0.666667 0.333333 0.142824 Cl\n0.333333 0.666667 0.857176 Cl\n0.333333 0.666667 0.404646 Cl\n0.666667 0.333333 0.595354 Cl\n0.164166 0.328332 0.635673 Cl\n0.167863 0.335727 0.118677 Cl\n",
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