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{
"id": "jvasp-113441",
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"structure_string": "Li1 B1 O1\n1.0\n-0.000000 2.468197 2.468197\n2.468197 0.000000 2.468197\n2.468197 2.468197 0.000000\nLi B O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:13.040233Z",
"structure_string": "Li2 Mn1 V3 O8\n1.0\n5.881310 0.055168 0.039009\n2.988431 5.065779 0.039009\n2.988431 1.725372 4.763060\nLi Mn V O\n2 1 3 8\ndirect\n0.127050 0.127050 0.127050 Li\n0.872949 0.872950 0.872950 Li\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.260625 0.260626 0.260626 O\n0.262837 0.262837 0.716270 O\n0.262837 0.716270 0.262837 O\n0.716270 0.262837 0.262837 O\n0.283731 0.737163 0.737163 O\n0.737163 0.283731 0.737163 O\n0.737162 0.737163 0.283731 O\n0.739374 0.739374 0.739375 O\n",
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{
"id": "jvasp-101085",
"created_at": "2022-09-04T14:36:44.787351Z",
"updated_at": "2022-09-04T14:36:44.787359Z",
"structure_string": "V3 Mo1 O6\n1.0\n4.526199 0.164494 3.426987\n1.795299 4.158177 3.426987\n0.240557 0.164494 5.672111\nV Mo O\n3 1 6\ndirect\n0.339856 0.339855 0.339855 V\n0.159374 0.159374 0.159374 V\n0.661539 0.661537 0.661539 V\n0.839235 0.839233 0.839234 Mo\n0.744032 0.415927 0.082399 O\n0.415929 0.082398 0.744032 O\n0.082399 0.744032 0.415928 O\n0.570069 0.926202 0.261370 O\n0.926203 0.261368 0.570070 O\n0.261371 0.570068 0.926202 O\n",
"nsites": 10,
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{
"id": "jvasp-116895",
"created_at": "2022-09-04T14:38:45.013333Z",
"updated_at": "2022-09-04T14:38:45.013367Z",
"structure_string": "Li4 Fe2 F10\n1.0\n5.049605 -0.170681 -0.085306\n-2.578332 4.496334 -1.673614\n0.292723 0.130131 7.144664\nLi Fe F\n4 2 10\ndirect\n0.497919 0.997538 0.499730 Li\n0.147834 0.301273 0.190431 Li\n0.848160 0.693870 0.809002 Li\n0.497976 -0.002480 -0.000282 Li\n0.897896 0.784081 0.293031 Fe\n0.097980 0.210999 0.706385 Fe\n0.562921 0.406722 0.160941 F\n0.867653 0.364264 0.650040 F\n0.239843 0.179420 0.450274 F\n0.128183 0.630789 0.349403 F\n0.293611 0.015771 0.750058 F\n0.756005 0.815660 0.549133 F\n0.924903 0.173207 0.935362 F\n0.071049 0.821885 0.064084 F\n0.433007 0.588348 0.838453 F\n0.702245 0.979284 0.249346 F\n",
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{
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"created_at": "2022-09-04T14:38:19.111412Z",
"updated_at": "2022-09-04T14:38:19.111437Z",
"structure_string": "Mg8 Fe4 O16\n1.0\n0.000000 4.953597 0.070483\n5.854539 0.000000 0.000000\n0.000000 -5.074028 -9.751781\nMg Fe O\n8 4 16\ndirect\n0.705800 0.122777 0.959683 Mg\n0.294200 0.622777 0.540317 Mg\n0.994743 0.626959 0.257206 Mg\n0.005258 0.126959 0.242795 Mg\n0.994742 0.873042 0.757206 Mg\n0.005258 0.373042 0.742794 Mg\n0.705800 0.377223 0.459683 Mg\n0.294201 0.877223 0.040317 Mg\n0.251531 0.375456 0.015236 Fe\n0.748470 0.875456 0.484764 Fe\n0.251531 0.124544 0.515236 Fe\n0.748469 0.624544 0.984764 Fe\n0.174421 0.605585 0.114951 O\n0.741576 0.634097 0.610910 O\n0.825579 0.105585 0.385049 O\n0.258424 0.134097 0.889090 O\n0.692232 0.386210 0.103705 O\n0.810390 0.653993 0.387027 O\n0.189611 0.346008 0.612974 O\n0.189611 0.153993 0.112974 O\n0.741576 0.865903 0.110910 O\n0.174421 0.894415 0.614951 O\n0.258424 0.365903 0.389091 O\n0.825579 0.394415 0.885049 O\n0.810389 0.846008 0.887027 O\n0.307769 0.886210 0.396295 O\n0.307769 0.613790 0.896295 O\n0.692232 0.113790 0.603705 O\n",
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"formula_full": "Mg8 Fe4 O16",
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{
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"created_at": "2022-09-04T14:38:07.165001Z",
"updated_at": "2022-09-04T14:38:07.165023Z",
"structure_string": "Li2 Mn2 F6\n1.0\n4.993537 -0.004078 0.000000\n-4.101838 2.847868 0.000000\n-0.000000 -0.000000 7.058335\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.747886 0.252114 0.250000 Mn\n0.252114 0.747886 0.749999 Mn\n0.642086 0.357914 0.567610 F\n0.911275 0.088725 0.749999 F\n0.642086 0.357914 0.932389 F\n0.357914 0.642087 0.432389 F\n0.357914 0.642087 0.067610 F\n0.088726 0.911275 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:37:12.201066Z",
"updated_at": "2022-09-04T14:37:12.201089Z",
"structure_string": "Fe1 Co1 O4\n1.0\n1.408827 0.813387 4.354238\n-2.829089 1.629215 8.709901\n-1.416347 -0.817728 8.709901\nFe Co O\n1 1 4\ndirect\n0.500000 0.000000 0.500000 Fe\n0.499999 0.500000 0.500001 Co\n0.241698 0.499999 0.235373 O\n0.758301 0.500000 0.764629 O\n0.233214 0.000000 0.239617 O\n0.766786 0.000000 0.760382 O\n",
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{
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"structure_string": "H9 C13 S1 N1\n1.0\n4.522146 -0.023532 0.093273\n-2.221877 6.032521 -0.097403\n0.331122 0.072285 8.844218\nH C S N\n9 13 1 1\ndirect\n0.550450 0.124721 0.798437 H\n0.685622 0.298914 0.346343 H\n0.967344 0.124486 0.963029 H\n0.100450 0.692965 0.078294 H\n0.274048 0.868452 0.627559 H\n0.402592 0.692538 0.847290 H\n0.405085 0.868883 0.297861 H\n0.384887 0.124500 0.127306 H\n0.424278 0.299142 0.579238 H\n0.389049 0.288586 0.164943 C\n0.642194 0.387049 0.635343 C\n0.555555 0.386968 0.290243 C\n0.710230 0.288671 0.760739 C\n0.840129 0.600451 0.585984 C\n0.229811 0.398576 0.083872 C\n0.407025 0.707999 0.257439 C\n0.979191 0.398513 0.841827 C\n0.240033 0.611005 0.133354 C\n0.111351 0.707726 0.668050 C\n0.181238 0.610745 0.792233 C\n0.764971 0.719274 0.462720 C\n0.570999 0.600534 0.339514 C\n0.903718 0.996686 0.462628 S\n0.052147 0.293923 0.962907 N\n",
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"structure_string": "Nb2 Ni21 B6\n1.0\n6.440207 -0.000000 3.718255\n2.146736 6.071885 3.718255\n-0.000000 -0.000000 7.436510\nNb Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750001 0.750001 0.750000 Nb\n0.000000 0.000000 0.000000 Ni\n0.153266 0.615578 0.615578 Ni\n0.846734 0.384423 0.384423 Ni\n0.615578 0.153266 0.615578 Ni\n0.615578 0.615578 0.153266 Ni\n0.384423 0.846735 0.384423 Ni\n0.384423 0.384423 0.846734 Ni\n0.615578 0.615578 0.615578 Ni\n0.340516 0.659485 0.000000 Ni\n0.659485 0.340515 0.000000 Ni\n0.384423 0.384423 0.384423 Ni\n0.000000 0.000000 0.340515 Ni\n0.340515 0.000000 0.659485 Ni\n0.000000 0.659485 0.000000 Ni\n0.659485 0.000000 0.340515 Ni\n0.000000 0.340515 0.000000 Ni\n0.000000 0.659485 0.340515 Ni\n0.000000 0.340515 0.659485 Ni\n0.659485 0.000000 0.000000 Ni\n0.340515 0.000000 0.000000 Ni\n0.000000 0.000000 0.659485 Ni\n0.267483 0.267483 0.732517 B\n0.732517 0.267483 0.267483 B\n0.267484 0.732517 0.732517 B\n0.267484 0.732517 0.267483 B\n0.732517 0.267483 0.732517 B\n0.732518 0.732517 0.267483 B\n",
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{
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"structure_string": "Nd1 Ga3 B4 O12\n1.0\n5.901085 -0.004668 -1.474353\n-1.886959 5.591262 -1.474353\n-0.003354 -0.004668 6.082476\nNd Ga B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.448497 -0.000000 0.551504 Ga\n0.000000 0.551503 0.448497 Ga\n0.551503 0.448496 0.000000 Ga\n0.054873 0.499999 0.945128 B\n0.500000 0.499999 0.500001 B\n0.499999 0.945127 0.054873 B\n0.945127 0.054872 0.500001 B\n0.355007 0.644992 0.500001 O\n0.500000 0.355007 0.644993 O\n0.644992 0.499999 0.355008 O\n0.027803 0.625063 0.785848 O\n0.374936 0.972197 0.214153 O\n0.500000 0.090245 0.909755 O\n0.909753 0.499999 0.090246 O\n0.090246 0.909754 0.500001 O\n0.972196 0.214152 0.374937 O\n0.625063 0.785847 0.027803 O\n0.214153 0.374936 0.972198 O\n0.785847 0.027802 0.625064 O\n",
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{
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]
}