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{
"id": "jvasp-64100",
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"structure_string": "Ba4 Ti1 P1\n1.0\n-0.000000 4.905479 4.905479\n4.905479 0.000000 4.905479\n4.905479 4.905479 0.000000\nBa Ti P\n4 1 1\ndirect\n0.127708 0.624098 0.624098 Ba\n0.624098 0.624098 0.624098 Ba\n0.624098 0.127708 0.624098 Ba\n0.624098 0.624098 0.127708 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 P\n",
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{
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"structure_string": "Mn8 O13 F3\n1.0\n6.606774 -0.015166 -0.017523\n-0.681801 6.553525 -0.025891\n-2.838161 -3.131239 5.474357\nMn O F\n8 13 3\ndirect\n0.549180 0.302517 0.851578 Mn\n0.937635 0.200029 0.146621 Mn\n0.448659 0.679224 0.643632 Mn\n0.051311 0.800313 0.351529 Mn\n0.950903 0.195056 0.647985 Mn\n0.567886 0.306697 0.362332 Mn\n0.037156 0.785168 0.834408 Mn\n0.428609 0.701203 0.143915 Mn\n0.022334 0.100841 0.385699 O\n0.520606 0.598795 0.384954 O\n0.148205 0.736781 0.115159 O\n0.286282 0.370365 0.887948 O\n0.344919 0.768225 0.881488 O\n0.616719 0.037577 0.386384 O\n0.786986 0.864077 0.883328 O\n0.882900 0.459215 0.613315 O\n0.652733 0.235927 0.118317 O\n0.849485 0.272775 0.887704 O\n0.480384 0.396347 0.612576 O\n0.988858 0.902771 0.618106 O\n0.120016 0.535934 0.384655 O\n0.398167 0.959510 0.619056 F\n0.709122 0.649890 0.120075 F\n0.220950 0.140754 0.119251 F\n",
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{
"id": "jvasp-110542",
"created_at": "2022-09-04T14:38:39.226099Z",
"updated_at": "2022-09-04T14:38:39.226124Z",
"structure_string": "Sn4 Te1 Se3\n1.0\n4.277160 0.000000 0.000000\n0.000000 4.639728 0.022859\n0.000000 -0.041066 11.894655\nSn Te Se\n4 1 3\ndirect\n0.500000 0.576856 0.624382 Sn\n0.500000 0.885028 0.120150 Sn\n0.000000 0.379180 0.373436 Sn\n0.000000 0.137434 0.890798 Sn\n0.000000 0.025364 0.641507 Te\n0.500000 0.529207 0.857938 Se\n0.500000 0.980496 0.350128 Se\n0.000000 0.486434 0.141662 Se\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:38:16.507248Z",
"updated_at": "2022-09-04T14:38:16.507268Z",
"structure_string": "Co2 P2 H12 N2 O10\n1.0\n4.752583 0.000000 0.000000\n0.000000 5.620982 0.000000\n0.000000 0.000000 8.835422\nCo P H N O\n2 2 12 2 10\ndirect\n0.520164 0.500000 0.022644 Co\n0.020165 0.000000 0.977356 Co\n0.086506 0.500000 0.808504 P\n0.586506 0.000000 0.191495 P\n0.594332 0.140801 0.808631 H\n0.594332 0.859199 0.808631 H\n0.094333 0.640801 0.191369 H\n0.149738 0.152488 0.593563 H\n0.149738 0.847512 0.593563 H\n0.094333 0.359199 0.191369 H\n0.649737 0.652488 0.406437 H\n0.979746 0.000000 0.454571 H\n0.479747 0.500000 0.545428 H\n0.342832 0.000000 0.462694 H\n0.842832 0.500000 0.537306 H\n0.649737 0.347512 0.406437 H\n0.655883 0.500000 0.472736 N\n0.155884 0.000000 0.527263 N\n0.731638 0.219467 0.112781 O\n0.731638 0.780533 0.112781 O\n0.231638 0.280533 0.887219 O\n0.231638 0.719467 0.887219 O\n0.768079 0.500000 0.830586 O\n0.154763 0.500000 0.637072 O\n0.268080 0.000000 0.169413 O\n0.215415 0.500000 0.208321 O\n0.654763 0.000000 0.362928 O\n0.715415 0.000000 0.791679 O\n",
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{
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"created_at": "2022-09-04T14:35:56.645088Z",
"updated_at": "2022-09-04T14:35:56.645114Z",
"structure_string": "Sr3 Mg3\n1.0\n4.034508 0.000000 -0.000000\n-2.017254 3.493987 0.000000\n-0.000000 0.000000 16.742149\nSr Mg\n3 3\ndirect\n0.000000 -0.000000 0.986683 Sr\n0.666668 0.333333 0.528420 Sr\n0.000000 -0.000000 0.318073 Sr\n0.666668 0.333333 0.820782 Mg\n0.000000 -0.000000 0.693270 Mg\n0.666668 0.333333 0.152772 Mg\n",
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{
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"created_at": "2022-09-04T14:35:47.848767Z",
"updated_at": "2022-09-04T14:35:47.848791Z",
"structure_string": "Ba4 Bi1 Pd1\n1.0\n-0.000000 4.904868 4.904868\n4.904868 -0.000000 4.904868\n4.904868 4.904868 0.000000\nBa Bi Pd\n4 1 1\ndirect\n0.125583 0.624806 0.624806 Ba\n0.624806 0.624806 0.624806 Ba\n0.624806 0.125583 0.624806 Ba\n0.624806 0.624806 0.125583 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-57342",
"created_at": "2022-09-04T14:38:16.481011Z",
"updated_at": "2022-09-04T14:38:16.481033Z",
"structure_string": "Na2 V2 Ge4 O12\n1.0\n5.341530 -0.052430 1.112310\n1.195681 6.550593 0.866028\n-0.086467 -0.000926 6.714347\nNa V Ge O\n2 2 4 12\ndirect\n0.750000 0.809156 0.190844 Na\n0.250000 0.190843 0.809157 Na\n0.250000 0.590434 0.409566 V\n0.750000 0.409565 0.590435 V\n0.724322 0.309070 0.113113 Ge\n0.224322 0.113112 0.309070 Ge\n0.275678 0.690929 0.886888 Ge\n0.775678 0.886886 0.690931 Ge\n0.371761 0.522252 0.690992 O\n0.168437 0.594008 0.136837 O\n0.668437 0.136836 0.594008 O\n0.331563 0.863162 0.405993 O\n-0.023940 0.106792 0.171300 O\n0.523940 0.828700 0.893209 O\n0.476060 0.171299 0.106792 O\n0.831563 0.405991 0.863164 O\n0.128239 0.309008 0.477747 O\n0.871761 0.690991 0.522254 O\n0.023940 0.893207 0.828701 O\n0.628239 0.477747 0.309009 O\n",
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{
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"created_at": "2022-09-04T14:35:54.235895Z",
"updated_at": "2022-09-04T14:35:54.235915Z",
"structure_string": "Li2 Si4 Bi2 O12\n1.0\n5.031878 4.610769 0.136345\n-5.031878 4.610769 -0.136345\n-1.539762 0.000000 5.044088\nLi Si Bi O\n2 4 2 12\ndirect\n0.088691 0.088690 0.750000 Li\n0.911310 0.911310 0.250000 Li\n0.189490 0.625021 0.726189 Si\n0.374979 0.810511 0.226189 Si\n0.625021 0.189489 0.773812 Si\n0.810511 0.374979 0.273812 Si\n0.722444 0.722444 0.750000 Bi\n0.277556 0.277556 0.250000 Bi\n0.887423 0.603914 0.179767 O\n0.684877 0.361110 0.519220 O\n0.396086 0.112577 0.679767 O\n0.638890 0.315124 0.019219 O\n0.361110 0.684876 0.980781 O\n0.208006 0.980613 0.142646 O\n0.315124 0.638890 0.480781 O\n0.112577 0.396086 0.820233 O\n0.791994 0.019387 0.857354 O\n0.019387 0.791994 0.642647 O\n0.603914 0.887423 0.320233 O\n0.980613 0.208006 0.357354 O\n",
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"created_at": "2022-09-04T14:38:15.427345Z",
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"structure_string": "K2 Zn3 Si1 As4\n1.0\n7.668713 0.057223 0.000000\n-5.528445 5.314954 0.000000\n0.000000 0.000000 5.744573\nK Zn Si As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.255074 K\n0.000000 0.500000 0.744925 K\n0.500000 0.499999 0.500000 Zn\n0.500000 0.499999 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.657218 0.874774 0.766357 As\n0.125225 0.342781 0.233642 As\n0.874774 0.657218 0.233642 As\n0.342781 0.125225 0.766357 As\n",
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{
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"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
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{
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"updated_at": "2022-09-04T14:38:36.277987Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.504749 -0.000000 0.000000\n0.000000 5.504748 0.000000\n0.000000 0.000000 7.786821\nK Li Al H\n4 2 2 12\ndirect\n0.000000 0.500000 0.249986 K\n0.000000 0.500000 0.750014 K\n0.500000 0.000000 0.749986 K\n0.500000 0.000000 0.250014 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.270114 0.270153 0.500000 H\n0.729887 0.270153 0.500000 H\n0.729887 0.729848 0.500000 H\n0.270114 0.729848 0.500000 H\n0.000000 0.000000 0.770228 H\n0.229887 0.229848 0.000000 H\n0.770114 0.770153 0.000000 H\n0.229887 0.770153 0.000000 H\n0.500000 0.500000 0.729771 H\n0.770114 0.229848 0.000000 H\n0.000000 0.000000 0.229771 H\n0.500000 0.500000 0.270229 H\n",
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]
}