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{
"id": "jvasp-19370",
"created_at": "2022-09-04T14:38:35.803669Z",
"updated_at": "2022-09-04T14:38:35.803681Z",
"structure_string": "Mg4 Cr4 O12\n1.0\n0.000000 5.184519 -0.000239\n4.964462 0.000000 0.000000\n0.000000 -0.000568 -7.285978\nMg Cr O\n4 4 12\ndirect\n0.063662 0.986253 0.750001 Mg\n0.436338 0.486254 0.250000 Mg\n0.563662 0.513746 0.750001 Mg\n0.936338 0.013746 0.250000 Mg\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.189223 0.183996 0.064595 O\n0.310777 0.683996 0.935405 O\n0.689223 0.316004 0.064595 O\n0.810777 0.816004 0.935405 O\n0.189226 0.183999 0.435403 O\n0.947292 0.375209 0.750000 O\n0.447292 0.124791 0.750000 O\n0.052708 0.624791 0.250001 O\n0.689226 0.316001 0.435403 O\n0.552708 0.875209 0.250001 O\n0.310773 0.683999 0.564598 O\n0.810774 0.816001 0.564598 O\n",
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{
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"structure_string": "Ru1 O2\n1.0\n2.413984 2.413984 0.000000\n2.413984 0.000000 -2.413984\n0.000000 2.413984 -2.413984\nRu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 O\n0.749999 0.749999 0.749999 O\n",
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{
"id": "jvasp-101883",
"created_at": "2022-09-04T14:36:49.387826Z",
"updated_at": "2022-09-04T14:36:49.387850Z",
"structure_string": "Sn1 H8 C5 O6\n1.0\n4.790779 -0.034172 -0.264289\n0.679278 5.451084 -0.726560\n0.016354 0.276469 7.142534\nSn H C O\n1 8 5 6\ndirect\n0.968867 0.600476 0.644604 Sn\n0.387413 0.159310 0.363610 H\n0.330194 0.910915 0.204722 H\n0.691310 -0.005415 0.997035 H\n0.841062 0.189007 0.175464 H\n0.432607 0.495209 0.171525 H\n0.231085 0.300873 0.023321 H\n0.293410 0.910992 0.702696 H\n0.989539 0.155594 0.598191 H\n0.497548 0.016735 0.267659 C\n0.642892 0.128515 0.117357 C\n0.543004 0.445948 0.884131 C\n0.683752 0.855457 0.390498 C\n0.443933 0.349852 0.055394 C\n0.586829 0.814377 0.550525 O\n0.104268 0.915076 0.752194 O\n0.938467 0.280590 0.506748 O\n0.396347 0.440530 0.730636 O\n0.787627 0.523507 0.895727 O\n0.928533 0.753935 0.351831 O\n",
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{
"id": "jvasp-10351",
"created_at": "2022-09-04T14:37:27.685268Z",
"updated_at": "2022-09-04T14:37:27.685298Z",
"structure_string": "Fe4 Cu3 O12\n1.0\n6.140783 -0.001605 0.000712\n-2.045605 5.790398 -0.004668\n-2.048105 -2.890601 5.015766\nFe Cu O\n4 3 12\ndirect\n0.500000 0.500001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000001 0.500000 Cu\n0.689931 0.873954 0.184019 O\n0.815967 0.689920 0.505885 O\n0.126043 0.815980 0.310058 O\n0.689921 0.505894 0.815970 O\n0.505890 0.815970 0.689924 O\n0.184033 0.310081 0.494115 O\n0.310069 0.126047 0.815981 O\n0.494110 0.184031 0.310077 O\n0.815982 0.310074 0.126048 O\n0.184018 0.689927 0.873952 O\n0.873957 0.184021 0.689942 O\n0.310079 0.494107 0.184030 O\n",
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{
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"created_at": "2022-09-04T14:38:51.340756Z",
"updated_at": "2022-09-04T14:38:51.340777Z",
"structure_string": "H3 I1 O1\n1.0\n3.606572 0.000000 0.000000\n0.000000 3.606572 -0.000000\n0.000000 0.000000 3.606572\nH I O\n3 1 1\ndirect\n0.499999 0.000000 0.000000 H\n0.000000 0.000000 0.499999 H\n0.000000 0.499999 0.000000 H\n0.499999 0.499999 0.499999 I\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-101897",
"created_at": "2022-09-04T14:36:40.228944Z",
"updated_at": "2022-09-04T14:36:40.228977Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.617430 -0.029586 0.731433\n-0.012100 6.438320 2.086394\n0.195199 -0.135912 10.086828\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.159652 0.725049 0.968043 Al\n0.230502 0.274128 0.433456 H\n0.606300 0.455836 0.504667 H\n0.614735 0.244646 0.656239 H\n0.083026 0.302577 0.743320 H\n0.078282 0.518153 0.595346 H\n0.335422 0.882911 0.205433 H\n0.182147 0.089353 0.265327 H\n0.212758 0.067296 0.590740 H\n0.360470 0.811607 0.453262 H\n0.759333 0.195761 0.364992 H\n0.740191 0.994704 0.524959 H\n0.322324 0.187273 0.962483 H\n0.678558 0.304093 0.896288 H\n0.557707 0.326422 0.132125 H\n0.822158 0.133830 0.133047 H\n0.710291 0.828268 0.350353 H\n0.552586 0.172421 0.973052 C\n0.592731 0.168499 0.123661 C\n0.612500 0.077407 0.443564 C\n0.520000 0.921350 0.375558 C\n0.390001 0.013466 0.241342 C\n0.470115 0.331385 0.583601 C\n0.361364 0.185753 0.512119 C\n0.324684 0.565161 0.740381 C\n0.673583 0.977389 0.947297 C\n0.223176 0.425059 0.665529 C\n0.015879 0.560794 0.183116 Cl\n0.556179 0.661233 0.701729 O\n0.951534 0.959938 0.928086 O\n0.517886 0.823741 0.953302 O\n0.137343 0.574934 0.855835 O\n",
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{
"id": "jvasp-42982",
"created_at": "2022-09-04T14:37:26.994469Z",
"updated_at": "2022-09-04T14:37:26.994480Z",
"structure_string": "Li4 Mn4 Fe2 O12\n1.0\n4.872842 0.018773 -0.000000\n-2.432547 4.222280 0.000000\n0.000000 0.000000 10.010598\nLi Mn Fe O\n4 4 2 12\ndirect\n0.160020 0.660021 0.750000 Li\n0.339979 0.839979 0.250000 Li\n0.660020 0.160020 0.750000 Li\n0.839979 0.339979 0.250000 Li\n0.162568 0.837431 0.500000 Mn\n0.337431 0.662568 0.000000 Mn\n0.662568 0.337431 0.000000 Mn\n0.837431 0.162568 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n0.503162 0.162070 0.393495 O\n0.834027 0.834027 0.396607 O\n0.337928 0.996837 0.893495 O\n0.665971 0.665972 0.896606 O\n0.334028 0.334028 0.103393 O\n0.003162 0.662071 0.106505 O\n0.496836 0.837929 0.606505 O\n0.162071 0.503163 0.393495 O\n0.996836 0.337928 0.893495 O\n0.837928 0.496837 0.606505 O\n0.165972 0.165972 0.603394 O\n0.662070 0.003162 0.106505 O\n",
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"formula_full": "Li4 Mn4 Fe2 O12",
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{
"id": "jvasp-74327",
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"updated_at": "2022-09-04T14:36:02.391845Z",
"structure_string": "Be2 Cr1 Ni1\n1.0\n2.496718 0.000000 0.000000\n0.000000 2.496718 0.000000\n-0.000000 0.000000 6.021009\nBe Cr Ni\n2 1 1\ndirect\n0.000000 0.000000 0.990248 Be\n0.500000 0.500000 0.780841 Be\n0.000000 0.000000 0.514576 Cr\n0.500000 0.500000 0.214335 Ni\n",
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{
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"created_at": "2022-09-04T14:35:41.345438Z",
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"structure_string": "Ti2 Fe2 H2\n1.0\n-2.899664 0.000000 0.000000\n0.000000 -0.000000 -4.265001\n0.000000 -4.552356 -0.000000\nTi Fe H\n2 2 2\ndirect\n0.499999 0.750000 0.253422 Ti\n0.499999 0.250000 0.746579 Ti\n0.000000 0.750000 0.696501 Fe\n0.000000 0.250000 0.303500 Fe\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:37:29.497364Z",
"updated_at": "2022-09-04T14:37:29.497392Z",
"structure_string": "Co4 Cu3 O12\n1.0\n5.790109 -0.000000 -2.047113\n-2.895055 5.014383 -2.047113\n0.000000 0.000000 6.141339\nCo Cu O\n4 3 12\ndirect\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.688132 0.505692 0.817561 O\n0.182440 0.311869 0.494308 O\n0.505693 0.817560 0.688132 O\n0.688132 0.870570 0.182440 O\n0.129430 0.817560 0.311869 O\n0.817561 0.688131 0.505694 O\n0.311869 0.494307 0.182440 O\n0.870571 0.182440 0.688132 O\n0.182440 0.688131 0.870572 O\n0.817561 0.311869 0.129430 O\n0.494307 0.182440 0.311869 O\n0.311869 0.129429 0.817561 O\n",
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"structure_string": "Li2 Mn2 O4\n1.0\n2.815196 0.000000 0.000000\n0.000000 4.668048 0.000000\n0.000000 0.000000 5.713332\nLi Mn O\n2 2 4\ndirect\n0.500001 0.500000 0.878622 Li\n0.000000 0.000000 0.121378 Li\n0.500001 0.500000 0.362681 Mn\n0.000000 0.000000 0.637318 Mn\n0.500001 0.000000 0.862874 O\n0.000000 0.500000 0.600284 O\n0.500001 0.000000 0.399716 O\n0.000000 0.500000 0.137126 O\n",
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{
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"created_at": "2022-09-04T14:37:53.249409Z",
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]
}