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{
"id": "jvasp-102370",
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"structure_string": "K2 Rb1 Sc1 Br6\n1.0\n7.081164 -0.000000 4.088312\n2.360388 6.676186 4.088312\n-0.000000 -0.000000 8.176624\nK Rb Sc Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Sc\n0.772105 0.227894 0.227894 Br\n0.227894 0.227894 0.772105 Br\n0.227894 0.772106 0.772105 Br\n0.227894 0.772106 0.227894 Br\n0.772105 0.227894 0.772105 Br\n0.772105 0.772106 0.227894 Br\n",
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{
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.430871 0.003373 -1.560805\n-0.597716 5.623625 -1.682741\n-0.032265 -0.019033 6.977235\nMg H C O\n2 4 6 8\ndirect\n0.522574 0.482781 0.185362 Mg\n0.030327 0.982790 0.185360 Mg\n0.847332 0.511885 0.715282 H\n0.937631 0.812336 0.694732 H\n0.124640 0.312323 0.694720 H\n0.235547 0.011894 0.715283 H\n0.171621 0.826060 0.698703 C\n0.894630 0.326050 0.698702 C\n0.400785 0.789520 0.896471 C\n0.183348 0.699819 0.479697 C\n0.663879 0.199817 0.479698 C\n0.863226 0.289518 0.896478 C\n0.406677 0.110598 0.454532 O\n0.743969 0.213605 0.321745 O\n0.415356 0.610591 0.454527 O\n0.610955 0.319531 0.920292 O\n0.676872 0.819533 0.920272 O\n0.097308 0.243844 0.038475 O\n0.308700 0.743837 0.038478 O\n0.945315 0.713605 0.321745 O\n",
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{
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"updated_at": "2022-09-04T14:37:03.763126Z",
"structure_string": "Ba8 B4 N8 O2\n1.0\n6.655295 0.000000 -3.080287\n-0.000000 7.364749 -0.000000\n0.003372 0.000000 8.737174\nBa B N O\n8 4 8 2\ndirect\n0.325135 0.500000 0.650271 Ba\n0.692069 0.807955 -0.000000 Ba\n0.307931 0.192046 -0.000000 Ba\n0.192069 0.692046 -0.000000 Ba\n0.825134 0.000000 0.650270 Ba\n0.674864 0.500000 0.349728 Ba\n0.807930 0.307955 -0.000000 Ba\n0.174865 0.000000 0.349728 Ba\n0.861887 0.500000 0.723775 B\n0.138113 0.500000 0.276224 B\n0.361887 0.000000 0.723775 B\n0.638112 0.000000 0.276224 B\n0.994946 0.371162 0.730706 N\n0.764238 0.128838 0.269292 N\n0.494946 0.128838 0.730706 N\n0.505053 0.871163 0.269292 N\n0.005053 0.628838 0.269293 N\n0.264238 0.371162 0.269293 N\n0.735761 0.628838 0.730706 N\n0.235760 0.871163 0.730707 N\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Ba2 Y4 Pd2 O10\n1.0\n6.555819 -0.000000 0.000000\n-0.000000 6.555819 -0.000000\n0.000000 -0.000000 5.895314\nBa Y Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.673370 0.826630 0.500000 Y\n0.826630 0.326630 0.500000 Y\n0.173370 0.673370 0.500000 Y\n0.326630 0.173370 0.500000 Y\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.640514 0.140514 0.259539 O\n0.859486 0.640514 0.259539 O\n0.359486 0.859486 0.740461 O\n0.640514 0.140514 0.740461 O\n0.500000 0.500000 0.500000 O\n0.140514 0.359486 0.740461 O\n0.000000 0.000000 0.500000 O\n0.140514 0.359486 0.259539 O\n0.859486 0.640514 0.740461 O\n0.359486 0.859486 0.259539 O\n",
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{
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"created_at": "2022-09-04T14:36:51.645541Z",
"updated_at": "2022-09-04T14:36:51.645565Z",
"structure_string": "Sm2 Mn4 Si2 C2\n1.0\n5.633934 0.010103 0.000000\n-4.359719 3.568496 0.000000\n0.000000 0.000000 7.001528\nSm Mn Si C\n2 4 2 2\ndirect\n0.546126 0.453874 0.250000 Sm\n0.453874 0.546126 0.750000 Sm\n0.831780 0.168218 0.063267 Mn\n0.168219 0.831782 0.936734 Mn\n0.168219 0.831782 0.563267 Mn\n0.831780 0.168218 0.436734 Mn\n0.266835 0.733166 0.250000 Si\n0.733164 0.266834 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:36:51.634367Z",
"updated_at": "2022-09-04T14:36:51.634387Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.421855 -0.064144 0.274256\n1.428171 4.195667 0.329308\n-0.011557 -0.140125 19.251801\nSn H C F\n2 24 12 4\ndirect\n0.314439 0.714661 0.536515 Sn\n0.212519 0.443385 0.059705 Sn\n0.830859 -0.012115 0.902186 H\n0.490517 0.962416 0.955348 H\n0.384142 0.598007 0.876695 H\n0.750371 0.557058 0.829965 H\n0.077571 0.740294 0.367266 H\n0.695086 0.394127 0.442199 H\n0.573967 0.798295 0.411847 H\n0.286716 0.256684 0.292383 H\n0.650113 0.159636 0.334181 H\n0.355534 0.770504 0.245674 H\n0.717484 0.682558 0.287713 H\n0.150606 0.364179 0.410857 H\n0.543756 0.128699 0.784995 H\n0.177244 0.163069 0.830430 H\n0.721678 0.506765 0.725382 H\n0.669398 0.844334 0.669180 H\n0.649986 0.300395 0.621558 H\n0.590048 0.274589 0.177458 H\n0.254732 0.409964 0.657184 H\n0.947144 0.201011 0.219125 H\n0.961953 0.757604 0.171708 H\n0.641376 0.782212 0.120328 H\n0.132547 0.704744 0.761196 H\n0.104446 0.057887 0.711106 H\n0.444533 0.360831 0.317643 C\n0.548358 0.728165 0.856402 C\n0.487518 0.602141 0.431751 C\n0.267790 0.523665 0.382968 C\n0.674708 0.843291 0.917066 C\n0.560719 0.572901 0.263746 C\n0.740529 0.395561 0.200473 C\n0.545131 0.682480 0.693294 C\n0.269682 0.863671 0.741475 C\n0.846369 0.610903 0.145912 C\n0.448720 0.502063 0.638318 C\n0.381163 -0.005745 0.803825 C\n0.083602 0.990617 0.040777 F\n0.196029 0.200627 0.539089 F\n0.822958 0.824944 0.536970 F\n0.874119 0.558916 0.953705 F\n",
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"structure_string": "Nd1 Fe1 Co1 Si2\n1.0\n3.735849 0.009766 -4.272595\n-0.519572 3.699555 -4.272595\n-0.008468 -0.009766 5.675523\nNd Fe Co Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.499999 Fe\n0.250000 0.749999 0.499998 Co\n0.636913 0.636913 -0.000001 Si\n0.363088 0.363087 -0.000000 Si\n",
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}