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{
"id": "jvasp-12580",
"created_at": "2022-09-04T14:37:57.315179Z",
"updated_at": "2022-09-04T14:37:57.315207Z",
"structure_string": "Cu2 H4 Se2 O10\n1.0\n5.129923 0.014427 0.015321\n-0.837848 5.538495 -0.098290\n-2.147598 -1.976973 6.905998\nCu H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.912184 0.478940 0.768864 H\n0.087814 0.521060 0.231136 H\n0.032484 0.675314 0.665343 H\n0.967515 0.324686 0.334657 H\n0.568694 0.868568 0.229000 Se\n0.431304 0.131433 0.771000 Se\n0.329345 0.346011 0.659885 O\n0.670654 0.653989 0.340116 O\n0.297468 0.840948 0.621140 O\n0.702531 0.159052 0.378860 O\n0.667735 0.815820 0.029900 O\n0.213611 0.802332 0.152893 O\n0.332264 0.184180 0.970100 O\n0.125843 0.381564 0.288581 O\n0.786387 0.197669 0.847107 O\n0.874155 0.618436 0.711419 O\n",
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"structure_string": "V6 O6 F6\n1.0\n5.817985 0.006088 -1.049884\n-1.257775 5.680348 -1.050501\n0.004613 0.006312 5.912074\nV O F\n6 6 6\ndirect\n0.664760 0.853348 0.397013 V\n0.397011 0.664765 0.853349 V\n0.853342 0.397008 0.664755 V\n0.146656 0.602993 0.335246 V\n0.602987 0.335235 0.146651 V\n0.335237 0.146652 0.602988 V\n0.574196 0.177321 0.411460 O\n0.588539 0.425808 0.822681 O\n0.822681 0.588545 0.425808 O\n0.177317 0.411454 0.574191 O\n0.411459 0.574193 0.177319 O\n0.425801 0.822680 0.588540 O\n0.899336 0.066651 0.671004 F\n0.329003 0.100660 0.933341 F\n0.933343 0.329005 0.100663 F\n0.066655 0.670997 0.899336 F\n0.670994 0.899342 0.066657 F\n0.100663 0.933350 0.328996 F\n",
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{
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"structure_string": "Sc2 Fe2 O6\n1.0\n1.646924 -2.852556 -0.000000\n1.646924 2.852556 0.000000\n-0.000000 -0.000000 11.559260\nSc Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.250008 Sc\n0.000000 0.000000 0.749992 Sc\n0.333332 0.666666 0.000000 Fe\n0.666666 0.333332 0.500000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.333332 0.666666 0.834795 O\n0.333332 0.666666 0.165205 O\n0.666666 0.333332 0.665202 O\n0.666666 0.333332 0.334798 O\n",
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{
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"updated_at": "2022-09-04T14:38:30.195143Z",
"structure_string": "Mn20\n1.0\n6.011245 -0.000000 -0.000000\n-0.000000 6.011245 -0.000000\n-0.000000 -0.000000 6.011245\nMn\n20\ndirect\n0.052498 0.052498 0.052498 Mn\n0.552960 0.625001 0.302960 Mn\n0.947041 0.375000 0.802960 Mn\n0.302960 0.552960 0.625001 Mn\n0.447041 0.125000 0.197041 Mn\n0.052960 0.875001 0.697041 Mn\n0.802960 0.947041 0.375000 Mn\n0.197041 0.447041 0.125000 Mn\n0.875001 0.697041 0.052960 Mn\n0.375000 0.802960 0.947041 Mn\n0.125000 0.197041 0.447041 Mn\n0.697502 0.697502 0.697502 Mn\n0.947503 0.552499 0.447502 Mn\n0.552499 0.447502 0.947503 Mn\n0.447502 0.947503 0.552499 Mn\n0.197502 0.802499 0.302498 Mn\n0.802499 0.302498 0.197502 Mn\n0.302498 0.197502 0.802499 Mn\n0.697041 0.052960 0.875001 Mn\n0.625001 0.302960 0.552960 Mn\n",
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{
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{
"id": "jvasp-9742",
"created_at": "2022-09-04T14:37:09.247741Z",
"updated_at": "2022-09-04T14:37:09.247752Z",
"structure_string": "Ti2 P2 O8\n1.0\n4.866199 0.043288 0.000000\n-1.804030 4.519652 -0.000000\n-0.000000 0.000000 5.904595\nTi P O\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.648609 0.351391 0.250000 P\n0.351391 0.648609 0.750001 P\n0.243785 0.756215 0.536508 O\n0.756215 0.243786 0.036508 O\n0.756215 0.243786 0.463492 O\n0.243785 0.756215 0.963493 O\n0.698065 0.765800 0.750001 O\n0.301936 0.234200 0.250000 O\n0.765800 0.698065 0.250000 O\n0.234200 0.301936 0.750001 O\n",
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{
"id": "jvasp-10804",
"created_at": "2022-09-04T14:37:10.442008Z",
"updated_at": "2022-09-04T14:37:10.442023Z",
"structure_string": "Mn4 O8\n1.0\n5.694784 -0.004650 -0.003288\n2.843366 4.924853 -0.000000\n2.843366 1.641617 4.643196\nMn O\n4 8\ndirect\n0.270669 0.243111 0.243111 Mn\n0.635926 0.108547 0.627763 Mn\n0.635927 0.627763 0.108546 Mn\n0.635927 0.627763 0.627763 Mn\n0.397690 0.369845 0.369845 O\n0.397690 0.369845 0.862620 O\n0.397691 0.862619 0.369845 O\n0.851818 0.382727 0.382727 O\n0.410336 0.863221 0.863221 O\n0.832893 0.412680 0.877214 O\n0.832894 0.877213 0.412680 O\n0.832894 0.877213 0.877214 O\n",
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},
{
"id": "jvasp-11764",
"created_at": "2022-09-04T14:37:17.148409Z",
"updated_at": "2022-09-04T14:37:17.148434Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n4.557329 -0.016858 3.219142\n1.658302 4.244946 3.219142\n-0.024784 -0.016858 5.579562\nTi Mn O\n2 2 6\ndirect\n0.853237 0.853236 0.853235 Ti\n0.146764 0.146764 0.146763 Ti\n0.640354 0.640353 0.640352 Mn\n0.359647 0.359647 0.359646 Mn\n0.048269 0.777180 0.437978 O\n0.777180 0.437979 0.048268 O\n0.437980 0.048269 0.777179 O\n0.951732 0.222820 0.562020 O\n0.562021 0.951732 0.222820 O\n0.222821 0.562021 0.951730 O\n",
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{
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"structure_string": "Cu2 O4 F2\n1.0\n-0.000000 -0.000000 4.617432\n4.290441 0.682846 0.000000\n-0.338369 4.331243 -0.000000\nCu O F\n2 4 2\ndirect\n0.000000 0.713805 0.713806 Cu\n0.500000 0.286194 0.286194 Cu\n0.726973 0.030669 0.765953 O\n0.773027 0.234046 0.969331 O\n0.226973 0.969331 0.234048 O\n0.273027 0.765953 0.030670 O\n0.250000 0.379024 0.620975 F\n0.750000 0.620975 0.379025 F\n",
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{
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"structure_string": "Ca2 Ti4 O8\n1.0\n3.067881 0.000000 0.000000\n-1.533941 4.897937 0.000000\n0.000000 0.000000 10.117342\nCa Ti O\n2 4 8\ndirect\n0.379699 0.759399 0.750000 Ca\n0.620301 0.240602 0.250000 Ca\n0.875616 0.751233 0.064999 Ti\n0.124384 0.248768 0.935001 Ti\n0.875616 0.751233 0.435001 Ti\n0.124384 0.248768 0.564999 Ti\n0.232513 0.465027 0.392850 O\n0.767487 0.534974 0.607149 O\n0.767487 0.534974 0.892850 O\n0.232513 0.465027 0.107150 O\n0.939089 0.878180 0.250000 O\n0.060911 0.121821 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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{
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}