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{
"id": "jvasp-111141",
"created_at": "2022-09-04T14:38:46.906058Z",
"updated_at": "2022-09-04T14:38:46.906078Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n4.749770 -0.064986 -3.829413\n-1.126423 4.614728 -3.829413\n0.051754 0.064986 6.100987\nTi Zn Bi O\n1 1 2 6\ndirect\n0.802033 0.802032 0.000001 Ti\n0.270124 0.270124 0.000000 Zn\n0.003579 0.503580 0.500001 Bi\n0.503579 0.003579 0.500000 Bi\n0.072601 0.072601 0.000000 O\n0.615599 0.615599 0.000001 O\n0.611546 0.110191 -0.000000 O\n0.611546 0.611546 0.501355 O\n0.110192 0.611546 0.000001 O\n0.110192 0.110192 0.498646 O\n",
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{
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"structure_string": "B2 O1\n1.0\n4.501941 0.596131 0.367119\n0.954510 -2.151318 -0.133329\n-1.711508 -3.059223 -3.178257\nB O\n2 1\ndirect\n0.489521 0.645874 0.065685 B\n-0.008920 0.801096 0.662926 B\n0.067359 -0.009167 0.941770 O\n",
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{
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"updated_at": "2022-09-04T14:38:46.907370Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.917629 -0.110511 -0.386702\n-1.141250 4.404507 -0.182024\n-0.063411 -0.085450 12.984944\nH Pb C O\n12 1 8 4\ndirect\n0.071794 0.922857 0.538900 H\n0.513399 0.945084 0.580000 H\n0.293741 0.809084 0.160737 H\n0.743273 0.835684 0.201531 H\n0.983715 0.392586 0.450904 H\n0.171712 0.857024 0.350151 H\n0.105687 0.338490 0.260669 H\n0.555156 0.371261 0.302289 H\n0.213616 0.283141 0.072447 H\n0.655207 0.305383 0.113570 H\n0.433262 0.419198 0.491670 H\n0.621208 0.889854 0.391756 H\n0.863535 0.114104 0.826218 Pb\n0.128078 0.637344 0.657810 C\n0.250680 0.780029 0.560183 C\n0.249677 0.555580 0.468989 C\n0.357722 0.721995 0.372488 C\n0.369189 0.506321 0.279943 C\n0.477304 0.672698 0.183440 C\n0.476331 0.448199 0.092264 C\n0.598984 0.590804 -0.005369 C\n0.229896 0.805198 0.745308 O\n0.923217 0.369133 0.652392 O\n0.497090 0.422912 0.907140 O\n0.803976 0.858961 0.000035 O\n",
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"volume": 222.21252709988408,
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"formula_full": "H12 Pb1 C8 O4",
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{
"id": "jvasp-117793",
"created_at": "2022-09-04T14:38:46.908498Z",
"updated_at": "2022-09-04T14:38:46.908529Z",
"structure_string": "I1 Br1\n1.0\n4.329666 0.000000 0.000000\n0.000000 4.329666 -0.000000\n0.000000 -0.000000 4.119789\nI Br\n1 1\ndirect\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-115742",
"created_at": "2022-09-04T14:38:46.909882Z",
"updated_at": "2022-09-04T14:38:46.909910Z",
"structure_string": "Co1 C1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nCo C O\n1 1 1\ndirect\n0.000000 0.000000 0.824179 Co\n0.000000 0.000000 0.140771 C\n0.000000 0.000000 -0.015990 O\n",
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{
"id": "jvasp-115502",
"created_at": "2022-09-04T14:38:46.910961Z",
"updated_at": "2022-09-04T14:38:46.910979Z",
"structure_string": "B1 Sb1 O2\n1.0\n2.861141 0.000000 -0.000000\n0.000000 2.861141 0.000000\n-0.000000 0.000000 6.094322\nB Sb O\n1 1 2\ndirect\n0.500000 0.500000 0.594480 B\n0.000000 0.000000 0.131963 Sb\n0.000000 0.000000 0.483629 O\n0.500000 0.500000 0.799927 O\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-120283",
"created_at": "2022-09-04T14:38:46.914558Z",
"updated_at": "2022-09-04T14:38:46.914579Z",
"structure_string": "Li3 F1\n1.0\n5.773581 -0.071723 -0.804196\n-2.372458 -4.080426 0.376523\n-1.593067 -1.393813 -2.157738\nLi F\n3 1\ndirect\n-0.030298 0.074994 0.709992 Li\n0.266765 0.721487 0.762143 Li\n0.624124 0.400182 0.854040 Li\n-0.003362 0.585285 0.149326 F\n",
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"formula_full": "Li3 F1",
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{
"id": "jvasp-117252",
"created_at": "2022-09-04T14:38:46.922035Z",
"updated_at": "2022-09-04T14:38:46.922070Z",
"structure_string": "Li4 Ti2 Fe6 O16\n1.0\n5.724759 0.029874 -0.021936\n2.831819 4.714080 -1.662303\n0.039490 -0.002534 9.915199\nLi Ti Fe O\n4 2 6 16\ndirect\n0.314744 0.370402 0.561739 Li\n0.814860 0.370430 0.061746 Li\n0.185172 0.629599 0.938258 Li\n0.685231 0.629567 0.438256 Li\n0.749903 0.500037 0.749989 Ti\n0.250123 0.499962 0.250002 Ti\n0.500012 0.000001 0.000002 Fe\n0.250049 0.999991 0.249998 Fe\n0.749944 0.000019 0.750005 Fe\n0.750086 0.999962 0.250002 Fe\n0.249911 0.000034 0.750002 Fe\n-0.000020 -0.000006 0.499998 Fe\n0.113458 0.231962 0.628815 O\n0.345520 0.768014 0.371170 O\n0.845478 0.767996 0.871146 O\n0.886526 0.768009 0.371174 O\n0.386410 0.768115 0.871200 O\n0.613618 0.231895 0.128807 O\n0.154541 0.232003 0.128855 O\n0.604372 0.791431 0.131911 O\n0.384071 0.231920 0.358324 O\n0.883914 0.231998 0.858330 O\n0.895741 0.208561 0.368092 O\n0.395625 0.208573 0.868097 O\n0.615923 0.768083 0.641677 O\n0.104251 0.791438 0.631904 O\n0.654455 0.231996 0.628834 O\n0.116086 0.768008 0.141670 O\n",
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"created_at": "2022-09-04T14:38:46.927921Z",
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"structure_string": "Be1 Tl1 Cl1\n1.0\n5.706191 -0.589855 0.000000\n-0.817460 4.601445 0.000000\n0.000000 0.000000 3.330576\nBe Tl Cl\n1 1 1\ndirect\n0.012674 -0.057980 0.000000 Be\n-0.131992 0.391523 0.000000 Tl\n0.351183 -0.016795 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:46.933588Z",
"updated_at": "2022-09-04T14:38:46.933621Z",
"structure_string": "K4 Na2 Fe1 H3 F12\n1.0\n5.895349 -0.000000 0.000000\n0.000000 5.717145 0.390772\n-0.000000 -0.014326 8.338602\nK Na Fe H F\n4 2 1 3 12\ndirect\n0.499422 0.947442 0.755796 K\n0.985674 0.515425 0.267960 K\n0.499422 0.052558 0.244204 K\n0.985674 0.484575 0.732039 K\n0.008054 -0.000000 -0.000000 Na\n0.487367 0.500000 0.500000 Na\n0.990500 -0.000000 0.500000 Fe\n0.389471 0.631074 0.125279 H\n0.389471 0.368926 0.874721 H\n0.753534 0.500000 -0.000000 H\n0.770842 0.701029 0.988402 F\n0.770842 0.298971 0.011597 F\n0.475988 0.469729 0.763397 F\n0.475988 0.530271 0.236603 F\n0.288753 0.743887 0.035161 F\n0.762871 0.231285 0.495964 F\n0.216138 0.230411 0.495354 F\n0.991114 0.011703 0.273802 F\n0.991114 0.988297 0.726198 F\n0.762871 0.768715 0.504035 F\n0.288753 0.256114 0.964839 F\n0.216138 0.769589 0.504645 F\n",
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{
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"structure_string": "S2 F1\n1.0\n4.131741 -0.000000 -0.000000\n-2.065870 3.578192 0.000000\n-0.000000 0.000000 3.180184\nS F\n2 1\ndirect\n0.333332 0.666667 0.000000 S\n0.666666 0.333333 0.000000 S\n0.000000 0.000000 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:46.934752Z",
"updated_at": "2022-09-04T14:38:46.934786Z",
"structure_string": "Mn1 H2 O2\n1.0\n3.330078 -0.009640 0.060488\n-1.652964 2.882926 -0.211295\n-0.083577 0.287782 4.612328\nMn H O\n1 2 2\ndirect\n0.087723 0.012407 0.977932 Mn\n0.420960 0.679222 0.534584 H\n0.754547 0.346062 0.421255 H\n0.420868 0.678779 0.746002 O\n0.754542 0.346052 0.209837 O\n",
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}