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{
"id": "jvasp-36153",
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"structure_string": "Rb2 Li1 Pr1 Br6\n1.0\n6.790114 -0.000000 3.920275\n2.263372 6.401781 3.920275\n-0.000000 -0.000000 7.840548\nRb Li Pr Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.740696 0.259304 0.259304 Br\n0.259304 0.259304 0.740696 Br\n0.259304 0.740696 0.740696 Br\n0.259304 0.740696 0.259304 Br\n0.740696 0.259304 0.740696 Br\n0.740695 0.740696 0.259304 Br\n",
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"structure_string": "Ca1 In2 Te4\n1.0\n6.545339 0.063516 -1.828716\n-3.755821 5.360905 -1.828716\n-0.032664 -0.063516 6.795924\nCa In Te\n1 2 4\ndirect\n0.750001 0.750001 -0.000000 Ca\n0.250001 0.750000 0.499999 In\n0.750001 0.250000 0.499999 In\n0.308083 0.808083 0.116165 Te\n0.191918 0.308082 0.499999 Te\n0.808083 0.691918 0.499999 Te\n0.691918 0.191918 0.883833 Te\n",
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"created_at": "2022-09-04T14:36:49.810752Z",
"updated_at": "2022-09-04T14:36:49.810789Z",
"structure_string": "Nd6 Y2\n1.0\n7.321606 -0.000000 0.000000\n-3.660803 6.340697 0.000000\n-0.000000 -0.000000 5.873043\nNd Y\n6 2\ndirect\n0.167201 0.334401 0.250000 Nd\n0.665600 0.832800 0.250000 Nd\n0.167202 0.832800 0.250000 Nd\n0.832800 0.665600 0.750000 Nd\n0.334401 0.167201 0.750000 Nd\n0.832800 0.167201 0.750000 Nd\n0.333334 0.666667 0.750000 Y\n0.666667 0.333334 0.250000 Y\n",
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{
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"created_at": "2022-09-04T14:35:53.675649Z",
"updated_at": "2022-09-04T14:35:53.675665Z",
"structure_string": "K4 I2 O1\n1.0\n-2.619638 2.619638 8.688325\n2.619638 -2.619638 8.688325\n2.619638 2.619638 -8.688325\nK I O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 K\n0.148404 0.148404 0.000000 K\n0.851595 0.851595 0.000000 K\n0.000000 0.500000 0.500000 K\n0.352679 0.352679 0.000000 I\n0.647321 0.647321 0.000000 I\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:49.930781Z",
"updated_at": "2022-09-04T14:36:49.930803Z",
"structure_string": "Tb3 Ac1\n1.0\n4.703875 -0.012471 -4.150836\n-0.965887 4.603657 -4.150836\n0.010153 0.012471 6.273418\nTb Ac\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.499999 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.000000 Ac\n",
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{
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"created_at": "2022-09-04T14:38:54.556990Z",
"updated_at": "2022-09-04T14:38:54.557016Z",
"structure_string": "Sn7 Pd1\n1.0\n6.483007 0.000000 -0.000000\n-0.000000 6.483007 -0.000000\n0.000000 0.000000 6.483007\nSn Pd\n7 1\ndirect\n0.235461 0.235461 0.735462 Sn\n0.000000 0.500000 0.000000 Sn\n0.235461 0.764539 0.264539 Sn\n0.500000 0.000000 0.000000 Sn\n0.764539 0.235461 0.264539 Sn\n0.500000 0.500000 0.500000 Sn\n0.764539 0.764539 0.735462 Sn\n0.000000 0.000000 0.500000 Pd\n",
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{
"id": "jvasp-60638",
"created_at": "2022-09-04T14:35:44.930489Z",
"updated_at": "2022-09-04T14:35:44.930520Z",
"structure_string": "U2 Br8\n1.0\n7.011504 0.039011 0.437630\n0.352764 6.875629 1.578618\n0.048863 -0.029646 7.063107\nU Br\n2 8\ndirect\n0.438144 0.802453 0.802454 U\n0.561854 0.197547 0.197547 U\n0.333294 0.559073 0.174661 Br\n0.666705 0.825339 0.440927 Br\n0.756576 0.942151 0.942152 Br\n0.243422 0.057849 0.057849 Br\n0.855790 0.333432 0.333432 Br\n0.144208 0.666568 0.666569 Br\n0.333294 0.174661 0.559074 Br\n0.666705 0.440926 0.825340 Br\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-106543",
"created_at": "2022-09-04T14:36:59.195287Z",
"updated_at": "2022-09-04T14:36:59.195310Z",
"structure_string": "La5 Mg1\n1.0\n6.348928 -0.000000 0.000000\n-3.174463 5.498333 0.000000\n0.000000 -0.000000 5.853755\nLa Mg\n5 1\ndirect\n0.333334 0.666666 0.500000 La\n0.000000 0.683807 -0.000000 La\n0.683807 0.000000 -0.000000 La\n0.316193 0.316193 -0.000000 La\n0.666667 0.333333 0.500000 La\n0.000000 0.000000 0.500000 Mg\n",
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{
"id": "jvasp-12080",
"created_at": "2022-09-04T14:37:29.200587Z",
"updated_at": "2022-09-04T14:37:29.200606Z",
"structure_string": "U2 Br8\n1.0\n7.011114 0.038819 0.437366\n0.352482 6.875575 1.578836\n0.048595 -0.029407 7.063092\nU Br\n2 8\ndirect\n0.438146 0.802447 0.802448 U\n0.561853 0.197552 0.197553 U\n0.333208 0.559051 0.174619 Br\n0.666791 0.825381 0.440950 Br\n0.756602 0.942147 0.942148 Br\n0.243397 0.057852 0.057853 Br\n0.855718 0.333515 0.333516 Br\n0.144281 0.666484 0.666485 Br\n0.333208 0.174618 0.559051 Br\n0.666791 0.440948 0.825382 Br\n",
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{
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"created_at": "2022-09-04T14:37:43.268542Z",
"updated_at": "2022-09-04T14:37:43.268573Z",
"structure_string": "Te6 Mo1 W3 S2\n1.0\n3.463332 0.000000 -0.000000\n-1.731667 2.999337 -0.000013\n-0.000000 -0.000166 39.340741\nTe Mo W S\n6 1 3 2\ndirect\n0.333355 0.666712 0.328733 Te\n0.333354 0.666712 0.704791 Te\n0.666644 0.333289 0.422372 Te\n0.666648 0.333298 0.516913 Te\n0.333351 0.666704 0.234586 Te\n0.333352 0.666705 0.610353 Te\n0.666687 0.333376 0.281704 Mo\n0.333312 0.666624 0.093973 W\n0.333312 0.666626 0.469653 W\n0.666686 0.333375 0.657641 W\n0.666646 0.333294 0.056126 S\n0.666643 0.333287 0.131904 S\n",
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{
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"created_at": "2022-09-04T14:36:51.090042Z",
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"structure_string": "Ca2 Sm6\n1.0\n7.338415 0.000000 0.000000\n-3.669208 6.355254 0.000000\n-0.000000 -0.000000 5.841364\nCa Sm\n2 6\ndirect\n0.333333 0.666666 0.749999 Ca\n0.666667 0.333333 0.250000 Ca\n0.164032 0.328065 0.250000 Sm\n0.671935 0.835967 0.250000 Sm\n0.164032 0.835967 0.250000 Sm\n0.835968 0.671935 0.749999 Sm\n0.328065 0.164032 0.749999 Sm\n0.835968 0.164032 0.749999 Sm\n",
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