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{
"id": "jvasp-43657",
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"structure_string": "Fe4 P4 O16\n1.0\n4.753218 -0.000000 0.000000\n0.000000 6.485370 0.000000\n0.000000 0.000000 8.723208\nFe P O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.528744 0.750000 0.176733 P\n0.028744 0.250000 0.323267 P\n0.971256 0.750000 0.676734 P\n0.471256 0.250000 0.823267 P\n0.782912 0.250000 0.877514 O\n0.934841 0.750000 0.856181 O\n0.434841 0.250000 0.643820 O\n0.282911 0.750000 0.622486 O\n0.824695 0.553680 0.619362 O\n0.824695 0.946320 0.619362 O\n0.175305 0.053680 0.380638 O\n0.065159 0.250000 0.143820 O\n0.717089 0.250000 0.377514 O\n0.565160 0.750000 0.356181 O\n0.324695 0.446320 0.880639 O\n0.217089 0.750000 0.122486 O\n0.675306 0.553680 0.119362 O\n0.675306 0.946320 0.119362 O\n0.175305 0.446320 0.380638 O\n0.324695 0.053680 0.880639 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:26.923034Z",
"updated_at": "2022-09-04T14:37:26.923063Z",
"structure_string": "Na2 Tl1 As1 F6\n1.0\n5.645142 -0.000000 3.259224\n1.881714 5.322291 3.259224\n-0.000000 -0.000000 6.518449\nNa Tl As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.777276 0.222723 0.222723 F\n0.222723 0.222723 0.777277 F\n0.222723 0.777277 0.777277 F\n0.222723 0.777277 0.222723 F\n0.777276 0.222723 0.777276 F\n0.777276 0.777277 0.222723 F\n",
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{
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"structure_string": "Na4 Nd4 Ga16 S32\n1.0\n11.373009 0.022414 -3.159427\n-6.560341 9.290198 -3.159427\n-0.002250 -0.004354 11.846427\nNa Nd Ga S\n4 4 16 32\ndirect\n0.378501 0.621500 0.750000 Na\n0.128501 0.871499 0.250000 Na\n0.621499 0.378501 0.250000 Na\n0.871499 0.128501 0.750000 Na\n0.625000 0.375000 0.750000 Nd\n0.375000 0.625000 0.250000 Nd\n0.875000 0.125000 0.250000 Nd\n0.125000 0.875001 0.750000 Nd\n0.468652 0.968879 0.609908 Ga\n0.531348 0.031121 0.390092 Ga\n0.641257 0.641029 0.609908 Ga\n0.031121 0.531349 0.890092 Ga\n0.358971 0.358744 0.890092 Ga\n0.358744 0.358971 0.390092 Ga\n0.866797 0.861452 0.978139 Ga\n0.883312 0.388658 0.521860 Ga\n0.138549 0.133203 0.521861 Ga\n0.611343 0.116688 0.978140 Ga\n0.133203 0.138549 0.021860 Ga\n0.116688 0.611343 0.478140 Ga\n0.861452 0.866797 0.478139 Ga\n0.388658 0.883312 0.021860 Ga\n0.641029 0.641256 0.109908 Ga\n0.968879 0.468652 0.109908 Ga\n0.149893 0.152295 0.834107 S\n0.318188 0.815786 0.665893 S\n0.091701 0.419225 0.004844 S\n0.586857 0.414381 0.995156 S\n0.908299 0.580776 0.995156 S\n0.847706 0.850108 0.665893 S\n0.184214 0.681813 0.834107 S\n0.345451 0.840303 0.186505 S\n0.653798 0.658945 0.313494 S\n0.414380 0.586857 0.495156 S\n0.580776 0.908299 0.495156 S\n0.413143 0.585620 0.004844 S\n0.078008 0.406370 0.494720 S\n0.911649 0.083287 0.005279 S\n0.593631 0.921992 0.005279 S\n0.916713 0.088351 0.494720 S\n0.921993 0.593631 0.505279 S\n0.088351 0.916713 0.994721 S\n0.406370 0.078008 0.994721 S\n0.083288 0.911649 0.505280 S\n0.850107 0.847706 0.165893 S\n0.681813 0.184214 0.334107 S\n0.152294 0.149893 0.334107 S\n0.815786 0.318187 0.165893 S\n0.658945 0.653798 0.813494 S\n0.840303 0.345451 0.686505 S\n0.346203 0.341055 0.686506 S\n0.419225 0.091701 0.504844 S\n0.341055 0.346202 0.186505 S\n0.159697 0.654550 0.313494 S\n0.585620 0.413143 0.504844 S\n0.654549 0.159697 0.813494 S\n",
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{
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"created_at": "2022-09-04T14:36:58.675894Z",
"updated_at": "2022-09-04T14:36:58.675919Z",
"structure_string": "Al1 Ni1 F5\n1.0\n4.935750 0.000289 -1.422478\n-0.892229 3.180318 -3.933774\n-0.015816 -0.000289 5.136616\nAl Ni F\n1 1 5\ndirect\n0.500000 0.500001 0.000001 Al\n0.000000 0.000000 0.000000 Ni\n0.799789 0.500001 0.299790 F\n0.200210 0.500000 0.700212 F\n0.258104 0.258105 0.000000 F\n0.741896 0.741896 0.000001 F\n0.500000 0.000000 0.500000 F\n",
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{
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"updated_at": "2022-09-04T14:38:08.508119Z",
"structure_string": "Rb4 Cd4 Cl12\n1.0\n4.062515 0.000000 0.000000\n0.000000 8.926731 0.000000\n0.000000 0.000000 14.963538\nRb Cd Cl\n4 4 12\ndirect\n0.750001 0.075005 0.326284 Rb\n0.250000 0.924995 0.673716 Rb\n0.750001 0.575005 0.173716 Rb\n0.250000 0.424995 0.826284 Rb\n0.750001 0.333140 0.557352 Cd\n0.250000 0.666860 0.442648 Cd\n0.750001 0.833140 0.942648 Cd\n0.250000 0.166860 0.057352 Cd\n0.250000 0.027373 0.898453 Cl\n0.750001 0.972627 0.101547 Cl\n0.250000 0.527373 0.601547 Cl\n0.250000 0.788958 0.289660 Cl\n0.750001 0.711042 0.789660 Cl\n0.750001 0.832340 0.504465 Cl\n0.750001 0.332340 0.995535 Cl\n0.250000 0.667660 0.004465 Cl\n0.750001 0.211042 0.710340 Cl\n0.750001 0.472627 0.398453 Cl\n0.250000 0.288958 0.210340 Cl\n0.250000 0.167660 0.495535 Cl\n",
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{
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"structure_string": "Mg1 Se2\n1.0\n4.909632 0.000000 0.000000\n-2.454816 4.251866 -0.000000\n-0.000000 -0.000000 3.892519\nMg Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Se\n0.666666 0.333333 0.000000 Se\n",
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{
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"structure_string": "Na2 Fe2 Si4 O12\n1.0\n5.132271 -0.001120 1.179336\n1.329405 6.249838 0.652616\n0.002101 -0.005046 6.422911\nNa Fe Si O\n2 2 4 12\ndirect\n0.249998 0.701097 0.298902 Na\n0.749999 0.298901 0.701098 Na\n0.250000 0.086150 0.913850 Fe\n0.749999 0.913850 0.086151 Fe\n0.271419 0.198723 0.387211 Si\n0.728581 0.801276 0.612789 Si\n0.771418 0.387211 0.198725 Si\n0.228582 0.612790 0.801275 Si\n0.132351 0.809612 0.969198 O\n0.367648 0.030803 0.190389 O\n0.497780 0.343127 0.367217 O\n0.693556 0.626652 0.096009 O\n0.806441 0.903992 0.373349 O\n0.306444 0.373346 0.903992 O\n0.193557 0.096008 0.626651 O\n0.997778 0.367217 0.343126 O\n0.502220 0.656875 0.632783 O\n0.002222 0.632781 0.656874 O\n0.867647 0.190388 0.030804 O\n0.632351 0.969197 0.809612 O\n",
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{
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{
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"created_at": "2022-09-04T14:35:44.254588Z",
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"structure_string": "Mg1 Be2 Cu1\n1.0\n2.798008 0.000000 0.000000\n0.000000 2.798008 0.000000\n0.000000 0.000000 6.031401\nMg Be Cu\n1 2 1\ndirect\n0.500000 0.500000 0.757514 Mg\n0.000000 0.000000 0.059768 Be\n0.500000 0.500000 0.237364 Be\n0.000000 0.000000 0.445355 Cu\n",
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]
}