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{
"id": "jvasp-55332",
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"structure_string": "Nd1 Fe3 B4 O12\n1.0\n5.792410 -0.038878 -1.457876\n-1.861238 5.485373 -1.457876\n-0.028062 -0.038878 5.972991\nNd Fe B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.561135 0.438864 Fe\n0.438865 -0.000000 0.561135 Fe\n0.561135 0.438865 -0.000001 Fe\n0.063264 0.499999 0.936735 B\n0.500000 0.499999 0.499999 B\n0.936736 0.063264 0.499999 B\n0.500000 0.936735 0.063263 B\n0.774771 0.030361 0.624563 O\n0.624563 0.774770 0.030360 O\n0.030361 0.624563 0.774770 O\n0.352277 0.647722 0.499999 O\n0.647722 0.499999 0.352276 O\n0.085260 0.914739 0.499999 O\n0.500000 0.085260 0.914739 O\n0.914740 0.499999 0.085259 O\n0.969638 0.225229 0.375436 O\n0.375436 0.969638 0.225228 O\n0.225229 0.375436 0.969638 O\n0.500000 0.352277 0.647722 O\n",
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{
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"structure_string": "Er3 S3 O1 F1\n1.0\n3.684377 -0.002672 -10.101679\n-0.117510 3.682504 -10.101679\n0.002590 0.002672 10.752606\nEr S O F\n3 3 1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.686329 0.686328 -0.000000 Er\n0.313672 0.313671 -0.000000 Er\n0.500000 0.500000 -0.000000 S\n0.871224 0.871223 -0.000000 S\n0.128776 0.128776 -0.000000 S\n0.250000 0.749999 0.499999 O\n0.750001 0.250000 0.500000 F\n",
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{
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"updated_at": "2022-09-04T14:36:57.770512Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.636598 0.000000 0.000000\n2.818299 4.881437 0.000000\n0.000000 -3.254292 4.679222\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 -0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.235228 0.028042 0.792814 O\n0.235228 0.529544 0.792814 O\n0.267424 0.465154 0.197731 O\n0.736730 0.028042 0.792814 O\n0.263270 0.971959 0.207186 O\n0.732577 0.534847 0.802268 O\n0.764772 0.470456 0.207186 O\n0.764772 0.971959 0.207186 O\n",
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{
"id": "jvasp-100694",
"created_at": "2022-09-04T14:36:53.865025Z",
"updated_at": "2022-09-04T14:36:53.865041Z",
"structure_string": "Rb2 In1 Au1 Br6\n1.0\n6.724246 -0.000000 3.882245\n2.241415 6.339680 3.882245\n0.000000 0.000000 7.764491\nRb In Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.500000 Au\n0.751084 0.248917 0.248917 Br\n0.248917 0.248917 0.751084 Br\n0.248917 0.751083 0.751084 Br\n0.248917 0.751083 0.248917 Br\n0.751084 0.248917 0.751084 Br\n0.751084 0.751083 0.248917 Br\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-103957",
"created_at": "2022-09-04T14:36:57.620850Z",
"updated_at": "2022-09-04T14:36:57.620881Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729745 0.077944 0.213684\n0.675204 4.112522 0.465287\n0.131566 0.031596 6.480605\nCd H C O\n1 2 3 4\ndirect\n0.267528 0.674722 0.501601 Cd\n0.085709 0.870299 0.026024 H\n0.648329 0.889046 0.952280 H\n0.666477 0.176425 0.192871 C\n0.895225 0.265397 0.797987 C\n0.834432 0.044709 0.993332 C\n0.697855 0.543876 0.756591 O\n0.163540 0.160853 0.672409 O\n0.445990 0.445106 0.193259 O\n0.740119 -0.016354 0.361073 O\n",
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{
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"created_at": "2022-09-04T14:36:55.306235Z",
"updated_at": "2022-09-04T14:36:55.306261Z",
"structure_string": "Rb2 Tl1 Ag1 I6\n1.0\n7.299920 -0.000000 4.214610\n2.433307 6.882431 4.214610\n0.000000 0.000000 8.429222\nRb Tl Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.743098 0.256902 0.256902 I\n0.256902 0.256902 0.743098 I\n0.256903 0.743098 0.743097 I\n0.256903 0.743098 0.256902 I\n0.743098 0.256902 0.743098 I\n0.743098 0.743098 0.256902 I\n",
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{
"id": "jvasp-107417",
"created_at": "2022-09-04T14:36:57.608897Z",
"updated_at": "2022-09-04T14:36:57.608907Z",
"structure_string": "Rb2 Ce1 Ag1 Br6\n1.0\n6.959975 -0.000000 4.018343\n2.319992 6.561927 4.018343\n-0.000000 -0.000000 8.036686\nRb Ce Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753050 0.246950 0.246950 Br\n0.246950 0.246950 0.753050 Br\n0.246949 0.753050 0.753050 Br\n0.246949 0.753050 0.246950 Br\n0.753050 0.246950 0.753050 Br\n0.753049 0.753050 0.246950 Br\n",
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{
"id": "jvasp-101963",
"created_at": "2022-09-04T14:36:56.653204Z",
"updated_at": "2022-09-04T14:36:56.653227Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.902547 -0.072531 -0.427097\n-1.027564 4.171866 -0.459337\n-0.543155 -0.082542 15.551312\nCd H C O\n1 16 10 4\ndirect\n0.447590 0.962721 0.152575 Cd\n0.581191 0.849410 0.524062 H\n0.209808 0.619444 0.951843 H\n0.748971 0.561311 0.952237 H\n0.002379 0.530157 0.774426 H\n0.559883 0.459683 0.792815 H\n0.746348 0.415546 0.604633 H\n0.316782 0.352364 0.631521 H\n0.456801 0.288828 0.439012 H\n0.028724 0.220033 0.468039 H\n0.088433 0.080339 0.859304 H\n0.637045 -0.006916 0.871648 H\n0.858759 0.973638 0.688823 H\n0.422579 0.895069 0.711769 H\n0.302584 0.716883 0.361915 H\n0.883430 0.643409 0.393572 H\n0.154879 0.782958 0.552726 H\n-0.020436 0.276298 0.032256 C\n-0.039988 0.434906 0.949876 C\n0.865945 0.190260 0.865681 C\n0.771725 0.338921 0.783340 C\n0.645198 0.089624 0.700477 C\n0.239488 0.102831 0.455419 C\n0.374608 0.971656 0.537678 C\n0.096969 0.834694 0.377266 C\n0.927005 0.930635 0.294418 C\n0.522475 0.228338 0.618471 C\n0.245805 0.392574 0.095745 O\n0.955130 0.790834 0.218760 O\n0.729907 0.122624 0.298618 O\n0.731109 0.028299 0.034792 O\n",
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"structure_string": "Tb2 Yb4 Pr2 S12\n1.0\n0.000000 10.874604 -0.015145\n4.106837 0.000000 0.000000\n0.000000 -2.888869 -11.043965\nTb Yb Pr S\n2 4 2 12\ndirect\n0.170399 0.750001 0.030771 Tb\n0.829601 0.250000 0.969228 Tb\n0.947754 0.750001 0.350948 Yb\n0.052246 0.250000 0.649051 Yb\n0.671506 0.750001 0.584900 Yb\n0.328493 0.250000 0.415099 Yb\n0.528555 0.750001 0.182240 Pr\n0.471445 0.250000 0.817759 Pr\n0.597423 0.250000 0.384717 S\n0.402576 0.750001 0.615282 S\n0.271826 0.750001 0.727586 S\n0.728173 0.250000 0.272413 S\n0.301364 0.750001 0.260433 S\n0.628294 0.750001 0.967239 S\n0.950423 0.750001 0.106327 S\n0.049576 0.250000 0.893672 S\n0.900687 0.750001 0.571041 S\n0.371705 0.250000 0.032760 S\n0.698636 0.250000 0.739566 S\n0.099312 0.250000 0.428958 S\n",
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}