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{
"id": "jvasp-3702",
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"structure_string": "Ca2 H2 Cl2\n1.0\n3.811296 0.000000 0.000000\n0.000000 3.811296 0.000000\n0.000000 0.000000 6.839451\nCa H Cl\n2 2 2\ndirect\n0.000000 0.500001 0.806440 Ca\n0.500001 0.000000 0.193560 Ca\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500001 0.000000 0.650698 Cl\n0.000000 0.500001 0.349302 Cl\n",
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{
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"structure_string": "Ca2 H2 I2\n1.0\n4.004869 0.000000 0.000000\n0.000000 4.004869 0.000000\n0.000000 0.000000 8.804812\nCa H I\n2 2 2\ndirect\n0.500000 0.000000 0.138707 Ca\n0.000000 0.500000 0.861293 Ca\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.682017 I\n0.000000 0.500000 0.317983 I\n",
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{
"id": "jvasp-35832",
"created_at": "2022-09-04T14:37:29.597464Z",
"updated_at": "2022-09-04T14:37:29.597489Z",
"structure_string": "Ca2 H3 Br1\n1.0\n1.945003 -3.368845 -0.000000\n1.945003 3.368845 0.000000\n0.000000 -0.000000 6.834125\nCa H Br\n2 3 1\ndirect\n0.666666 0.333332 0.185957 Ca\n0.333332 0.666666 0.814042 Ca\n0.666666 0.333332 0.849876 H\n0.333332 0.666666 0.150123 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Br\n",
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{
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"updated_at": "2022-09-04T14:36:52.454525Z",
"structure_string": "Ca2 H4\n1.0\n1.902243 -3.294781 0.000000\n1.902243 3.294781 0.000000\n0.000000 0.000000 5.316893\nCa H\n2 4\ndirect\n0.666666 0.333332 0.750000 Ca\n0.333332 0.666666 0.250000 Ca\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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{
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"created_at": "2022-09-04T14:36:55.495922Z",
"updated_at": "2022-09-04T14:36:55.495937Z",
"structure_string": "Ca2 H4\n1.0\n3.803637 0.027025 0.000000\n-1.925994 3.280081 0.000000\n-0.000000 0.000000 5.310288\nCa H\n2 4\ndirect\n0.166606 0.833394 0.250000 Ca\n0.833396 0.166606 0.750000 Ca\n0.833303 0.166699 0.250000 H\n0.166699 0.833302 0.750000 H\n0.500001 0.500000 -0.000000 H\n0.500001 0.500000 0.500000 H\n",
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{
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"created_at": "2022-09-04T14:35:47.487165Z",
"updated_at": "2022-09-04T14:35:47.487188Z",
"structure_string": "Ca2 H4 C2 Cl2 O6\n1.0\n-3.426670 3.668058 3.949487\n3.479022 -3.668058 3.481189\n3.426670 3.668058 -3.949487\nCa H C Cl O\n2 4 2 2 6\ndirect\n0.863983 0.113907 0.249926 Ca\n0.136018 0.886093 0.750074 Ca\n0.816127 0.154236 0.786693 H\n0.632456 0.845764 0.661891 H\n0.183873 0.845764 0.213307 H\n0.367544 0.154236 0.338110 H\n0.394176 0.500000 0.894176 C\n0.605824 0.500000 0.105824 C\n0.237454 0.592152 0.354698 Cl\n0.762547 0.407848 0.645302 Cl\n0.428029 0.730279 0.935670 O\n0.205390 0.269721 0.697749 O\n0.571972 0.269721 0.064330 O\n0.794610 0.730279 0.302251 O\n0.807833 -0.000000 0.807833 O\n0.192168 -0.000000 0.192168 O\n",
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"formula_full": "Ca2 H4 C2 Cl2 O6",
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{
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"created_at": "2022-09-04T14:36:56.544669Z",
"updated_at": "2022-09-04T14:36:56.544689Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n3.755316 -0.020138 -0.232742\n-1.831304 6.037505 -0.441183\n0.393861 -0.437910 9.899662\nCa H C O\n2 4 6 8\ndirect\n0.439631 0.848903 0.495811 Ca\n0.939618 0.848880 0.995810 Ca\n0.621422 0.338776 0.844994 H\n0.121355 0.338771 0.344988 H\n0.643647 0.354289 0.663488 H\n0.143577 0.354302 0.163485 H\n0.970112 0.346670 0.251061 C\n0.470181 0.346668 0.751064 C\n0.637074 0.137074 0.224628 C\n0.844678 0.557320 0.266700 C\n0.344737 0.557316 0.766695 C\n0.137130 0.137075 0.724636 C\n0.262427 0.628138 0.661042 O\n0.328886 0.650079 0.888671 O\n0.828887 0.650091 0.388681 O\n0.039753 0.051860 0.599634 O\n0.539737 0.051849 0.099625 O\n0.971882 0.059661 0.824444 O\n0.471799 0.059661 0.324432 O\n0.762324 0.628139 0.161052 O\n",
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{
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"structure_string": "Ca2 H4 C6 O8\n1.0\n4.204001 0.158499 -0.391928\n-0.319538 6.266547 -0.345303\n0.532348 0.217745 7.548141\nCa H C O\n2 4 6 8\ndirect\n0.945729 0.194672 0.505046 Ca\n0.945728 0.194672 0.005047 Ca\n0.235687 0.738989 0.856255 H\n0.235683 0.738988 0.356253 H\n0.236308 0.645772 0.639457 H\n0.236310 0.645770 0.139454 H\n0.395339 0.692448 0.250197 C\n0.395338 0.692449 0.750198 C\n0.567841 0.893212 0.202059 C\n0.565394 0.492635 0.302589 C\n0.565393 0.492636 0.802588 C\n0.567840 0.893211 0.702059 C\n0.431697 0.373931 0.913269 O\n0.828240 0.438584 0.734734 O\n0.828241 0.438584 0.234733 O\n0.432997 0.011926 0.589762 O\n0.432995 0.011927 0.089764 O\n0.833216 0.947984 0.774614 O\n0.833216 0.947983 0.274614 O\n0.431697 0.373931 0.413270 O\n",
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"structure_string": "Ca2 H4 C6 O8\n1.0\n4.212989 0.042592 0.616793\n0.777921 6.470778 0.409421\n0.160332 0.145143 7.551046\nCa H C O\n2 4 6 8\ndirect\n0.937535 0.913063 0.513474 Ca\n0.937535 0.913063 0.013474 Ca\n0.158530 0.353699 0.191011 H\n0.158531 0.353699 0.691012 H\n0.118973 0.430433 0.407896 H\n0.118974 0.430433 0.907896 H\n0.299673 0.396378 0.789454 C\n0.299674 0.396378 0.289454 C\n0.513542 0.201091 0.831883 C\n0.426452 0.595865 0.710311 C\n0.426453 0.595867 0.210310 C\n0.513544 0.201090 0.331883 C\n0.229661 0.760546 0.251428 O\n0.686751 0.601380 0.103608 O\n0.686750 0.601380 0.603609 O\n0.402537 0.082915 0.465006 O\n0.402539 0.082915 0.965005 O\n0.789580 0.148743 0.241879 O\n0.789579 0.148742 0.741880 O\n0.229662 0.760546 0.751427 O\n",
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{
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{
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}