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{
"id": "jvasp-54747",
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"structure_string": "Ba2 H8 O12\n1.0\n5.314198 2.437102 -1.350652\n-5.314198 2.437102 1.350652\n-1.253091 0.000000 9.521677\nBa H O\n2 8 12\ndirect\n0.878386 0.878386 0.750000 Ba\n0.121613 0.121613 0.250000 Ba\n0.195277 0.569930 0.680002 H\n0.569930 0.195277 0.819998 H\n0.804722 0.430069 0.319998 H\n0.430069 0.804722 0.180002 H\n0.740907 0.390201 0.480246 H\n0.390202 0.740907 0.019754 H\n0.259092 0.609797 0.519754 H\n0.609798 0.259092 -0.019754 H\n0.498902 0.245453 0.875408 O\n0.245453 0.498902 0.624593 O\n-0.164967 0.426143 0.141927 O\n0.426143 -0.164967 0.358074 O\n0.164967 0.573856 0.858074 O\n0.283569 0.038532 0.575315 O\n-0.038533 0.716431 0.075314 O\n0.716431 -0.038533 0.424686 O\n0.038532 0.283569 0.924686 O\n0.754546 0.501097 0.375408 O\n0.573856 0.164967 0.641927 O\n0.501097 0.754546 0.124593 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:02.604762Z",
"structure_string": "Th3 Au1\n1.0\n4.875384 0.000000 -0.000000\n-0.000000 4.875384 -0.000000\n0.000000 0.000000 4.875384\nTh Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:38:34.684971Z",
"updated_at": "2022-09-04T14:38:34.684998Z",
"structure_string": "Mg2 Sc1 Cr3 S8\n1.0\n6.306080 0.002306 3.618247\n2.096415 5.947417 3.618185\n0.003164 0.002276 7.270419\nMg Sc Cr S\n2 1 3 8\ndirect\n0.875798 0.875791 0.875795 Mg\n0.124209 0.124202 0.124205 Mg\n0.499991 0.500004 0.500005 Sc\n0.500013 0.499984 0.999998 Cr\n-0.000001 0.500006 0.499992 Cr\n0.499994 0.000008 0.500011 Cr\n0.737138 0.737143 0.737147 S\n0.252771 0.252785 0.718043 S\n0.252790 0.718042 0.252770 S\n0.718044 0.252788 0.252777 S\n0.747224 0.281954 0.747212 S\n0.281957 0.747223 0.747225 S\n0.262853 0.262850 0.262870 S\n0.747220 0.747227 0.281956 S\n",
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{
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"structure_string": "Tm1 Mn6 Ga2 Sn4\n1.0\n2.674262 -4.631957 0.000000\n2.674262 4.631957 0.000000\n-0.000000 0.000000 8.738650\nTm Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 -0.000000 0.234960 Mn\n-0.000000 0.500000 0.765040 Mn\n0.500000 0.500000 0.765040 Mn\n0.500000 0.500000 0.234960 Mn\n-0.000000 0.500000 0.234960 Mn\n0.500000 -0.000000 0.765040 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.330850 Sn\n0.000000 0.000000 0.669149 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n",
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{
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"created_at": "2022-09-04T14:38:53.540109Z",
"updated_at": "2022-09-04T14:38:53.540125Z",
"structure_string": "Li7 Co5 O12\n1.0\n14.021765 0.000995 2.330816\n13.733696 2.827632 2.330816\n0.002206 0.000225 4.911518\nLi Co O\n7 5 12\ndirect\n0.250009 0.250007 0.749838 Li\n0.420576 0.420573 0.916787 Li\n0.579425 0.579426 0.083216 Li\n0.923423 0.923423 0.429527 Li\n0.076578 0.076576 0.570475 Li\n0.749992 0.749992 0.250165 Li\n0.500000 0.500000 0.500001 Li\n0.666790 0.666789 0.662469 Co\n0.333211 0.333210 0.337533 Co\n0.833334 0.833332 0.837172 Co\n0.000000 0.000000 0.000000 Co\n0.166667 0.166667 0.162830 Co\n0.960801 0.960800 0.736011 O\n0.368888 0.368886 0.636014 O\n0.537567 0.537566 0.808651 O\n0.703526 0.703524 0.961583 O\n0.039200 0.039199 0.263991 O\n0.203636 0.203634 0.460576 O\n0.868265 0.868266 0.138306 O\n0.131736 0.131733 0.861696 O\n0.296475 0.296475 0.038419 O\n0.462433 0.462434 0.191351 O\n0.796365 0.796365 0.539426 O\n0.631113 0.631113 0.363988 O\n",
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{
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"structure_string": "U4 Pd12\n1.0\n2.919478 -5.056684 0.000000\n2.919478 5.056684 0.000000\n0.000000 -0.000000 9.672851\nU Pd\n4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.333333 0.666667 0.250000 U\n0.666667 0.333333 0.750000 U\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.344384 0.172193 0.250000 Pd\n0.172193 0.344384 0.750000 Pd\n0.172193 0.827808 0.750000 Pd\n0.827808 0.172193 0.250000 Pd\n0.827808 0.655617 0.250000 Pd\n0.655617 0.827808 0.750000 Pd\n",
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{
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{
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