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{
"id": "jvasp-71178",
"created_at": "2022-09-04T14:35:53.977310Z",
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"structure_string": "Mg1 Sc1 Be2\n1.0\n4.383602 0.000000 0.000000\n0.000000 4.383602 0.000000\n0.000000 0.000000 3.180677\nMg Sc Be\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.500001 Sc\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
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{
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{
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"structure_string": "Si4 O8\n1.0\n5.006967 0.087485 -0.092202\n-0.157617 5.425444 -0.306347\n-0.103594 -0.270499 6.210018\nSi O\n4 8\ndirect\n0.495054 0.728790 0.130604 Si\n0.203859 0.227193 0.100085 Si\n0.853932 0.496628 0.825507 Si\n0.335905 0.510401 0.528339 Si\n0.790955 0.717851 0.022410 O\n0.603257 0.419621 0.654656 O\n0.931944 0.248974 0.948805 O\n0.382221 0.457164 0.033103 O\n0.451306 0.733506 0.391442 O\n0.191562 0.285441 0.364159 O\n0.342607 0.962875 0.042820 O\n0.098722 0.602269 0.689490 O\n",
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{
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"structure_string": "Mg1 Se1\n1.0\n4.292006 -0.000000 0.000000\n-2.146003 3.716986 -0.000000\n0.000000 -0.000000 4.533157\nMg Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.000000 Se\n",
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{
"id": "jvasp-25640",
"created_at": "2022-09-04T14:37:42.836274Z",
"updated_at": "2022-09-04T14:37:42.836306Z",
"structure_string": "Li8 Ca2 B4 O12\n1.0\n3.454391 0.000000 0.000000\n0.000000 8.114311 0.000000\n0.000000 -0.000000 9.268582\nLi Ca B O\n8 2 4 12\ndirect\n0.500000 0.831130 0.952293 Li\n0.000000 0.331130 0.547706 Li\n0.500000 0.485970 0.697134 Li\n0.000000 0.014030 0.197134 Li\n0.500000 0.514030 0.302866 Li\n0.000000 0.668870 0.452293 Li\n0.500000 0.168870 0.047706 Li\n0.000000 0.985970 0.802866 Li\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.271721 0.289791 B\n0.500000 0.228279 0.789791 B\n0.500000 0.771721 0.210209 B\n0.000000 0.728279 0.710209 B\n0.000000 0.427349 0.350719 O\n0.000000 0.572650 0.649281 O\n0.000000 0.247252 0.141065 O\n0.500000 0.366007 0.879719 O\n0.500000 0.747252 0.358935 O\n0.500000 0.252748 0.641065 O\n0.000000 0.866007 0.620281 O\n0.000000 0.133993 0.379719 O\n0.500000 0.927349 0.149281 O\n0.000000 0.752748 0.858935 O\n0.500000 0.072651 0.850719 O\n0.500000 0.633993 0.120281 O\n",
"nsites": 26,
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{
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"created_at": "2022-09-04T14:37:56.047803Z",
"updated_at": "2022-09-04T14:37:56.047824Z",
"structure_string": "Be1 F2\n1.0\n0.000000 0.000000 -2.405921\n-0.933725 -3.579986 0.000000\n-2.633496 4.561349 0.000000\nBe F\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.578075 0.789037 F\n0.500000 0.421928 0.210965 F\n",
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{
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"created_at": "2022-09-04T14:38:31.751993Z",
"updated_at": "2022-09-04T14:38:31.752046Z",
"structure_string": "Na8 B4 H4 O12\n1.0\n3.464257 0.000000 0.000000\n-0.000000 8.638477 0.000000\n0.000000 0.000000 9.909153\nNa B H O\n8 4 4 12\ndirect\n0.250000 0.571091 0.102650 Na\n0.750001 0.428909 0.897350 Na\n0.750001 0.828000 0.946341 Na\n0.750001 0.928909 0.602650 Na\n0.750001 0.328000 0.553659 Na\n0.250000 0.672000 0.446341 Na\n0.250000 0.172000 0.053659 Na\n0.250000 0.071091 0.397350 Na\n0.250000 0.635575 0.740410 B\n0.250000 0.135575 0.759590 B\n0.750001 0.364425 0.259590 B\n0.750001 0.864425 0.240410 B\n0.750001 0.600651 0.270353 H\n0.750001 0.100651 0.229646 H\n0.250000 0.899349 0.770353 H\n0.250000 0.399349 0.729646 H\n0.750001 0.506673 0.336648 O\n0.250000 0.628131 0.877931 O\n0.250000 0.493327 0.663352 O\n0.750001 0.371870 0.122069 O\n0.250000 0.769097 0.666978 O\n0.250000 0.993328 0.836647 O\n0.750001 0.230903 0.333022 O\n0.250000 0.128130 0.622069 O\n0.750001 0.730903 0.166978 O\n0.750001 0.871870 0.377931 O\n0.750001 0.006673 0.163352 O\n0.250000 0.269097 0.833021 O\n",
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{
"id": "jvasp-90560",
"created_at": "2022-09-04T14:35:47.998100Z",
"updated_at": "2022-09-04T14:35:47.998130Z",
"structure_string": "Mg6 Ti2\n1.0\n4.388336 0.000000 0.000000\n-0.000000 4.388336 -0.000000\n0.000000 0.000000 8.791309\nMg Ti\n6 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.000000 0.500001 0.750000 Mg\n0.500001 0.000000 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500001 0.000000 0.250000 Mg\n0.000000 0.500001 0.250000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500000 Ti\n",
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{
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"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
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{
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"structure_string": "Mn2 H8 C4 O12\n1.0\n5.364629 0.000146 1.940825\n2.618321 5.667154 1.147761\n0.042008 0.012767 8.268410\nMn H C O\n2 8 4 12\ndirect\n0.938542 0.249995 0.750003 Mn\n0.061460 0.750004 0.249996 Mn\n0.010817 0.798915 0.856674 H\n0.666417 0.701078 0.643317 H\n0.156220 0.802048 0.649566 H\n0.333583 0.298922 0.356682 H\n0.843779 0.197953 0.350433 H\n0.392174 0.302047 0.149571 H\n0.989184 0.201086 0.143326 H\n0.607825 0.697954 0.850427 H\n0.511655 0.751933 0.350171 C\n0.386242 0.251928 0.850174 C\n0.488347 0.248070 0.649829 C\n0.613756 0.748073 0.149825 C\n0.671288 0.755789 0.423170 O\n0.328711 0.244213 0.576830 O\n0.277353 0.750868 0.425101 O\n0.149755 0.255786 0.923176 O\n0.722648 0.249133 0.574898 O\n0.850247 0.744217 0.076823 O\n0.250546 0.364821 0.260828 O\n0.876187 0.135194 0.239171 O\n0.123813 0.864805 0.760829 O\n0.546684 0.250863 0.925102 O\n0.453317 0.749139 0.074898 O\n0.749453 0.635179 0.739170 O\n",
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{
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"structure_string": "Ca2 Al4 B4 O14\n1.0\n4.789528 -0.005649 15.138763\n2.332962 4.182929 15.138763\n-0.009633 -0.005649 15.878337\nCa Al B O\n2 4 4 14\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.286102 0.286102 0.286101 Al\n0.786102 0.786102 0.786101 Al\n0.713899 0.713898 0.713898 Al\n0.213898 0.213898 0.213898 Al\n0.634470 0.634469 0.634469 B\n0.865531 0.865531 0.865530 B\n0.365531 0.365531 0.365530 B\n0.134469 0.134469 0.134469 B\n0.250000 0.250000 0.250000 O\n0.436475 0.097746 0.872059 O\n0.902254 0.127941 0.563525 O\n0.597747 0.936474 0.372059 O\n0.063526 0.627941 0.402253 O\n0.936475 0.372059 0.597746 O\n0.372060 0.597746 0.936474 O\n0.127941 0.563526 0.902253 O\n0.563526 0.902254 0.127940 O\n0.627941 0.402253 0.063525 O\n0.402254 0.063525 0.627940 O\n0.872060 0.436474 0.097746 O\n0.097746 0.872059 0.436474 O\n0.750001 0.750000 0.749999 O\n",
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"formula_full": "Ca2 Al4 B4 O14",
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{
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"structure_string": "Mg1 O2\n1.0\n3.175546 0.000000 0.041912\n0.000000 3.427889 0.000000\n-0.047731 0.000000 3.625115\nMg O\n1 2\ndirect\n0.466665 0.000000 0.133282 Mg\n-0.033361 0.000000 -0.564371 O\n-0.033303 0.000000 -0.168909 O\n",
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]
}