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{
"id": "jvasp-34767",
"created_at": "2022-09-04T14:38:32.303525Z",
"updated_at": "2022-09-04T14:38:32.303536Z",
"structure_string": "Sc7 Cl12\n1.0\n7.686825 -0.001858 -2.411273\n-3.283013 6.950476 -2.411272\n-0.001176 -0.001858 8.056148\nSc Cl\n7 12\ndirect\n0.312306 0.031217 0.104978 Sc\n0.031217 0.104977 0.312306 Sc\n0.687694 0.968783 0.895023 Sc\n0.895023 0.687693 0.968783 Sc\n0.968783 0.895022 0.687695 Sc\n0.500000 0.500000 0.500000 Sc\n0.104978 0.312306 0.031218 Sc\n0.225606 0.684516 0.075988 Cl\n0.684516 0.075987 0.225606 Cl\n0.613193 0.844873 0.533348 Cl\n0.315484 0.924013 0.774395 Cl\n0.075987 0.225606 0.684516 Cl\n0.466653 0.386807 0.155127 Cl\n0.155127 0.466653 0.386808 Cl\n0.386807 0.155127 0.466653 Cl\n0.533347 0.613193 0.844874 Cl\n0.844873 0.533347 0.613193 Cl\n0.774394 0.315484 0.924013 Cl\n0.924014 0.774394 0.315485 Cl\n",
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"structure_string": "Sc7 C2 Cl10\n1.0\n3.498243 -0.000000 0.000000\n-1.749121 9.201825 -1.613603\n0.000000 -0.035622 11.804554\nSc C Cl\n7 2 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.653506 0.307012 0.730629 Sc\n0.700922 0.401844 0.275494 Sc\n0.299078 0.598156 0.724506 Sc\n0.819278 0.638557 0.494180 Sc\n0.180721 0.361444 0.505820 Sc\n0.346494 0.692989 0.269371 Sc\n0.738292 0.476584 0.624810 C\n0.261708 0.523416 0.375190 C\n0.071131 0.142260 0.622876 Cl\n0.875612 0.751225 0.870729 Cl\n0.404101 0.808202 0.619066 Cl\n0.124388 0.248776 0.129271 Cl\n0.787875 0.575750 0.125474 Cl\n0.212125 0.424250 0.874526 Cl\n0.454745 0.909492 0.125740 Cl\n0.545255 0.090509 0.874260 Cl\n0.928869 0.857741 0.377124 Cl\n0.595899 0.191799 0.380934 Cl\n",
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{
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"created_at": "2022-09-04T14:38:11.455636Z",
"updated_at": "2022-09-04T14:38:11.455664Z",
"structure_string": "Sc7 C1 Br12\n1.0\n8.060415 -0.001727 -2.555278\n-3.490198 7.265591 -2.555278\n-0.001086 -0.001727 8.455751\nSc C Br\n7 1 12\ndirect\n0.103941 0.299079 0.037673 Sc\n0.299079 0.037673 0.103941 Sc\n0.908790 0.708502 0.976398 Sc\n0.708501 0.976398 0.908791 Sc\n0.976397 0.908791 0.708502 Sc\n0.482957 0.482957 0.482957 Sc\n0.037673 0.103941 0.299079 Sc\n0.000561 0.000561 0.000561 C\n0.389151 0.148131 0.469301 Br\n0.148131 0.469301 0.389152 Br\n0.078431 0.231952 0.691840 Br\n0.776190 0.314173 0.924475 Br\n0.314173 0.924475 0.776190 Br\n0.541041 0.616745 0.844856 Br\n0.616744 0.844857 0.541041 Br\n0.844856 0.541041 0.616744 Br\n0.231951 0.691841 0.078431 Br\n0.691840 0.078431 0.231951 Br\n0.924475 0.776190 0.314173 Br\n0.469301 0.389152 0.148131 Br\n",
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"elements": [
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{
"id": "jvasp-26851",
"created_at": "2022-09-04T14:38:29.641877Z",
"updated_at": "2022-09-04T14:38:29.641900Z",
"structure_string": "Sc7 B1 Cl12\n1.0\n7.704333 -0.010425 -2.409751\n-3.275772 6.973248 -2.409750\n-0.006631 -0.010426 8.072398\nSc B Cl\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Sc\n0.314858 0.030718 0.104614 Sc\n0.104614 0.314858 0.030718 Sc\n0.030718 0.104614 0.314858 Sc\n0.685142 0.969282 0.895386 Sc\n0.895386 0.685141 0.969282 Sc\n0.969282 0.895385 0.685142 Sc\n0.000000 0.000000 0.000000 B\n0.772408 0.313812 0.923408 Cl\n0.614166 0.844453 0.534668 Cl\n0.686187 0.076591 0.227592 Cl\n0.227592 0.686188 0.076592 Cl\n0.076591 0.227591 0.686188 Cl\n0.465332 0.385833 0.155546 Cl\n0.155547 0.465332 0.385834 Cl\n0.385833 0.155546 0.465332 Cl\n0.534668 0.614166 0.844454 Cl\n0.844453 0.534667 0.614167 Cl\n0.313812 0.923408 0.772409 Cl\n0.923408 0.772408 0.313812 Cl\n",
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"updated_at": "2022-09-04T14:36:39.642763Z",
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{
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"created_at": "2022-09-04T14:37:50.423664Z",
"updated_at": "2022-09-04T14:37:50.423692Z",
"structure_string": "Sc6 Te3 O18\n1.0\n4.417647 -7.651591 -0.000000\n4.417647 7.651591 0.000000\n0.000000 -0.000000 4.827785\nSc Te O\n6 3 18\ndirect\n0.000000 0.293474 0.500000 Sc\n0.000000 0.629151 0.000000 Sc\n0.293474 0.000000 0.500000 Sc\n0.370849 0.370849 0.000000 Sc\n0.629151 0.000000 0.000000 Sc\n0.706526 0.706526 0.500000 Sc\n0.666667 0.333333 0.497865 Te\n0.333333 0.666667 0.502134 Te\n0.000000 0.000000 0.000000 Te\n0.580197 0.457127 0.272399 O\n0.120720 0.211011 0.779281 O\n0.090292 0.879280 0.779281 O\n0.788990 0.909709 0.779281 O\n0.211011 0.120720 0.220718 O\n0.879280 0.090292 0.220718 O\n0.767716 0.222482 0.722805 O\n0.876930 0.419804 0.272399 O\n0.222482 0.767716 0.277194 O\n0.457127 0.580197 0.727600 O\n0.545234 0.777519 0.277194 O\n0.123070 0.542874 0.727600 O\n0.777519 0.545234 0.722805 O\n0.232285 0.454767 0.277194 O\n0.419804 0.876930 0.727600 O\n0.909709 0.788990 0.220718 O\n0.542874 0.123070 0.272399 O\n0.454767 0.232285 0.722805 O\n",
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{
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"created_at": "2022-09-04T14:38:38.153230Z",
"updated_at": "2022-09-04T14:38:38.153249Z",
"structure_string": "Sc6 Te2 Ru1\n1.0\n7.732857 0.000000 0.000000\n-3.866429 6.696850 -0.000000\n-0.000000 -0.000000 3.826381\nSc Te Ru\n6 2 1\ndirect\n0.238111 -0.000000 0.500000 Sc\n-0.000000 0.238111 0.500000 Sc\n0.761889 0.761889 0.500000 Sc\n0.612156 -0.000000 0.000000 Sc\n-0.000000 0.612155 0.000000 Sc\n0.387845 0.387845 0.000000 Sc\n0.333333 0.666667 0.500000 Te\n0.666667 0.333333 0.500000 Te\n0.000000 0.000000 0.000000 Ru\n",
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"structure_string": "Sc6 Te2 Rh1\n1.0\n3.883585 -6.726566 -0.000000\n3.883585 6.726566 0.000000\n-0.000000 -0.000000 3.786109\nSc Te Rh\n6 2 1\ndirect\n-0.000001 0.758435 0.000000 Sc\n0.241565 0.241565 0.000000 Sc\n0.758435 -0.000001 0.000000 Sc\n-0.000000 0.391028 0.500000 Sc\n0.608972 0.608972 0.500000 Sc\n0.391028 -0.000000 0.500000 Sc\n0.666666 0.333332 0.000000 Te\n0.333332 0.666666 0.000000 Te\n0.000000 0.000000 0.500000 Rh\n",
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{
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]
}