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{
"id": "jvasp-103821",
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"structure_string": "H10 C17 S1 O1\n1.0\n3.704985 0.021525 0.017536\n0.343973 5.542957 0.007941\n-0.016034 -0.005683 13.395924\nH C S O\n10 17 1 1\ndirect\n0.262609 0.090190 0.206560 H\n0.384880 0.000683 0.370842 H\n0.138474 0.198021 0.035436 H\n0.686660 0.896778 0.806849 H\n0.828833 0.791110 0.304131 H\n0.264262 0.090690 0.729567 H\n0.688233 0.897116 0.129715 H\n0.384681 0.000640 0.565101 H\n0.140692 0.198698 0.900882 H\n0.826888 0.790712 0.632226 H\n0.138707 0.269308 0.190823 C\n0.773443 0.655646 0.968314 C\n0.272004 0.151285 0.415356 C\n0.139590 0.269610 0.745401 C\n0.065463 0.332838 0.091884 C\n0.271871 0.151261 0.520690 C\n0.066568 0.333203 0.844437 C\n0.112267 0.361329 0.373929 C\n0.050392 0.428582 0.270139 C\n0.893842 0.559546 0.068139 C\n0.112041 0.361297 0.562254 C\n0.893994 0.559652 0.868324 C\n0.890314 0.658431 0.690954 C\n0.813524 0.720207 0.147765 C\n0.812694 0.720063 0.788703 C\n0.891324 0.658612 0.245405 C\n0.050210 0.428602 0.666108 C\n0.963051 0.558394 0.468153 S\n0.555977 0.837668 0.968466 O\n",
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"structure_string": "La1 Ce1 Ge4 Pt4\n1.0\n4.443995 0.000000 0.000000\n0.000000 4.458097 -0.013250\n0.000000 -0.055995 9.923143\nLa Ce Ge Pt\n1 1 4 4\ndirect\n0.499999 0.750092 0.748487 La\n-0.000000 0.244091 0.251554 Ce\n0.499999 0.246750 0.497374 Ge\n-0.000000 0.748830 0.497740 Ge\n-0.000000 0.270193 0.872955 Ge\n0.499999 0.719205 0.127618 Ge\n-0.000000 0.250799 0.621529 Pt\n0.499999 0.745099 0.375216 Pt\n0.499999 0.216115 0.001744 Pt\n-0.000000 0.776825 0.005781 Pt\n",
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{
"id": "jvasp-48583",
"created_at": "2022-09-04T14:36:51.958494Z",
"updated_at": "2022-09-04T14:36:51.958517Z",
"structure_string": "V1 O2 F1\n1.0\n3.117558 0.021273 0.523357\n0.029623 4.182853 -0.263963\n-0.817326 -2.153720 4.415393\nV O F\n1 2 1\ndirect\n0.932568 0.047035 0.981169 V\n0.930877 0.416262 0.956169 O\n0.436794 0.042911 0.150715 O\n0.926178 0.711599 0.588366 F\n",
"nsites": 4,
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{
"id": "jvasp-107296",
"created_at": "2022-09-04T14:36:53.797605Z",
"updated_at": "2022-09-04T14:36:53.797630Z",
"structure_string": "Pr2 Br2 Cl4\n1.0\n4.353419 0.000000 0.000000\n-0.000000 6.562185 3.607898\n0.000000 -0.041697 7.597388\nPr Br Cl\n2 2 4\ndirect\n0.000000 0.338966 0.327357 Pr\n0.500000 0.669302 0.662154 Pr\n0.000000 0.360407 0.914084 Br\n0.000000 0.922725 0.720179 Br\n0.000000 0.703312 0.387861 Cl\n0.500000 0.604960 0.086552 Cl\n0.500000 0.080564 0.311521 Cl\n0.500000 0.319761 0.590294 Cl\n",
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{
"id": "jvasp-102680",
"created_at": "2022-09-04T14:36:53.053473Z",
"updated_at": "2022-09-04T14:36:53.053490Z",
"structure_string": "Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n",
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{
"id": "jvasp-101828",
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"updated_at": "2022-09-04T14:36:54.456848Z",
"structure_string": "H4 C8 S4 O2\n1.0\n5.014094 0.010076 -0.029502\n-0.019260 6.174898 -0.989178\n0.024841 0.653462 6.736094\nH C S O\n4 8 4 2\ndirect\n0.654166 0.967673 0.861175 H\n0.653458 0.944576 0.606586 H\n0.654168 0.467850 0.361034 H\n0.653460 0.444566 0.106449 H\n0.392268 0.229816 0.238153 C\n0.392266 0.729722 0.738158 C\n0.153803 0.856131 0.738759 C\n0.153806 0.356223 0.238703 C\n0.915299 0.229808 0.238168 C\n0.653798 0.844194 0.736193 C\n0.915298 0.729715 0.738173 C\n0.653802 0.344284 0.236126 C\n0.948890 0.460252 0.739253 S\n0.948892 0.960352 0.239320 S\n0.358599 0.460259 0.739153 S\n0.358602 0.960358 0.239220 S\n0.153846 0.560702 0.239839 O\n0.153844 0.060619 0.739991 O\n",
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{
"id": "jvasp-32151",
"created_at": "2022-09-04T14:36:54.488790Z",
"updated_at": "2022-09-04T14:36:54.488804Z",
"structure_string": "H6 Pb1 C1 N1 Cl3\n1.0\n5.701466 -0.000060 0.120984\n-0.000061 5.644089 0.000134\n0.122329 0.000141 5.777092\nH Pb C N Cl\n6 1 1 1 3\ndirect\n0.939945 0.999930 0.758004 H\n0.803881 0.159767 0.996698 H\n0.803836 0.840168 0.996738 H\n0.229496 0.149687 0.020615 H\n0.229468 0.850160 0.020632 H\n0.107129 0.999935 0.243173 H\n0.482203 0.499944 0.492384 Pb\n0.902360 0.999952 0.945536 C\n0.129992 0.999932 0.064428 N\n0.434075 0.499938 0.986918 Cl\n0.440091 0.999946 0.529317 Cl\n0.975511 0.499941 0.441336 Cl\n",
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],
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"formula_anonymous": "ABCD3E6",
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{
"id": "jvasp-107017",
"created_at": "2022-09-04T14:36:54.980671Z",
"updated_at": "2022-09-04T14:36:54.980690Z",
"structure_string": "Zr2 Se3 S3\n1.0\n3.719075 -0.000000 0.000000\n0.000000 5.332101 0.617936\n0.000000 0.080490 9.377694\nZr Se S\n2 3 3\ndirect\n0.500001 0.715942 0.660484 Zr\n-0.000000 0.283359 0.336794 Zr\n-0.000000 0.465626 0.843798 Se\n0.500001 0.237751 0.555172 Se\n-0.000000 0.760833 0.441510 Se\n0.500001 0.127952 0.169132 S\n-0.000000 0.890399 0.818126 S\n0.500001 0.518138 0.174983 S\n",
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{
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"created_at": "2022-09-04T14:36:55.765317Z",
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"structure_string": "H8 C13 S3\n1.0\n3.819008 -0.025501 0.136584\n0.829548 5.396287 0.057187\n-0.358050 -0.036011 12.898089\nH C S\n8 13 3\ndirect\n0.916387 0.795141 0.048324 H\n0.381353 0.122672 0.132675 H\n0.497948 0.112234 0.764164 H\n0.932548 0.933862 0.648781 H\n0.386767 0.124280 0.963774 H\n0.492432 0.110503 0.331810 H\n0.930928 0.933416 0.447206 H\n0.671009 0.548665 0.048832 H\n0.945523 0.590643 0.048419 C\n0.201810 0.553491 0.645500 C\n0.200450 0.553067 0.450374 C\n0.215978 0.487952 0.753644 C\n0.109846 0.500510 0.149596 C\n0.213385 0.487104 0.342412 C\n0.293510 0.278949 0.183240 C\n0.045689 0.775309 0.493498 C\n0.046415 0.775511 0.602423 C\n0.357756 0.272742 0.804145 C\n0.353406 0.271355 0.291958 C\n0.297575 0.280213 0.913116 C\n0.111867 0.501181 0.946880 C\n0.011674 0.700503 0.253098 S\n0.012371 0.700821 0.843208 S\n0.356393 0.344385 0.547882 S\n",
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"structure_string": "H6 C10 S1\n1.0\n3.691528 0.139226 0.000239\n-0.250895 5.751141 -0.000272\n0.002587 0.001219 8.239924\nH C S\n6 10 1\ndirect\n0.335078 0.862976 0.101135 H\n0.294077 0.132837 0.592115 H\n0.294116 0.132828 0.909025 H\n0.803406 0.178818 0.399939 H\n0.803396 0.178806 0.101033 H\n0.335066 0.862983 0.399895 H\n0.447126 0.713981 0.165761 C\n0.559454 0.517829 0.422927 C\n0.559464 0.517821 0.078078 C\n0.696815 0.328432 0.334373 C\n0.513540 0.483969 0.903120 C\n0.513523 0.483978 0.597904 C\n0.447118 0.713984 0.335253 C\n0.389443 0.278519 0.665268 C\n0.389457 0.278514 0.835821 C\n0.696815 0.328427 0.166611 C\n0.627163 0.679155 0.750482 S\n",
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{
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"created_at": "2022-09-04T14:36:58.382718Z",
"updated_at": "2022-09-04T14:36:58.382734Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.666488 -0.000000 0.000000\n0.000000 6.124577 0.040891\n-0.000000 0.006266 6.550943\nAl Zn S\n2 1 4\ndirect\n0.500000 0.519120 0.171351 Al\n0.500000 0.975393 0.850082 Al\n-0.000000 0.510905 0.651717 Zn\n-0.000000 0.892169 0.654280 S\n0.500000 0.876831 0.170530 S\n0.500000 0.363823 0.843508 S\n-0.000000 0.361763 0.325180 S\n",
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]
}