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{
"id": "jvasp-103893",
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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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"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": "2022-09-04T14:36:52.454502Z",
"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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{
"id": "jvasp-99644",
"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": "2022-09-04T14:37:29.597464Z",
"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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"created_at": "2022-09-04T14:35:50.865717Z",
"updated_at": "2022-09-04T14:35:50.865744Z",
"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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{
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"created_at": "2022-09-04T14:38:10.459518Z",
"updated_at": "2022-09-04T14:38:10.459534Z",
"structure_string": "Ca2 H2 Cl2 O2\n1.0\n1.931041 -3.344663 -0.000000\n1.931041 3.344663 0.000000\n0.000000 -0.000000 9.835094\nCa H Cl O\n2 2 2 2\ndirect\n0.666666 0.333333 0.500802 Ca\n0.333333 0.666666 0.000802 Ca\n0.000000 0.000000 0.331994 H\n0.000000 0.000000 0.831993 H\n0.666666 0.333333 0.183727 Cl\n0.333333 0.666666 0.683726 Cl\n0.000000 0.000000 0.431678 O\n0.000000 0.000000 0.931678 O\n",
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{
"id": "jvasp-3702",
"created_at": "2022-09-04T14:35:41.744958Z",
"updated_at": "2022-09-04T14:35:41.744985Z",
"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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{
"id": "jvasp-117756",
"created_at": "2022-09-04T14:38:46.879427Z",
"updated_at": "2022-09-04T14:38:46.879448Z",
"structure_string": "Ca2 H2 Br2\n1.0\n3.840502 -0.000000 0.000000\n0.000000 3.840502 0.000000\n0.000000 -0.000000 7.916559\nCa H Br\n2 2 2\ndirect\n0.000000 0.499999 0.837599 Ca\n0.499999 0.000000 0.162401 Ca\n0.499999 0.499999 0.000000 H\n0.000000 0.000000 0.000000 H\n0.499999 0.000000 0.669713 Br\n0.000000 0.499999 0.330287 Br\n",
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{
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"created_at": "2022-09-04T14:36:00.620146Z",
"updated_at": "2022-09-04T14:36:00.620174Z",
"structure_string": "Ca2 H2 Br2\n1.0\n3.840811 0.000000 0.000000\n0.000000 3.840811 0.000000\n0.000000 0.000000 7.911968\nCa H Br\n2 2 2\ndirect\n0.000000 0.500000 0.163853 Ca\n0.500000 0.000000 0.836147 Ca\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.669844 Br\n0.500000 0.000000 0.330156 Br\n",
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{
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"updated_at": "2022-09-04T14:36:09.267676Z",
"structure_string": "Ca2 H24 I4 O28\n1.0\n8.672033 2.765854 -5.028183\n-8.672033 2.765854 5.028183\n-0.040495 0.000000 11.356444\nCa H I O\n2 24 4 28\ndirect\n0.567727 0.567727 0.750000 Ca\n0.432272 0.432272 0.250000 Ca\n0.956199 0.888677 0.155070 H\n0.111321 0.043800 0.655070 H\n0.043800 0.111322 0.844929 H\n0.621828 0.784418 0.350149 H\n0.784418 0.621828 0.149851 H\n0.378170 0.215581 0.649851 H\n0.215580 0.378171 0.850148 H\n0.355623 0.119393 0.171281 H\n0.119393 0.355623 0.328719 H\n0.644375 0.880606 0.828719 H\n0.880606 0.644376 0.671280 H\n0.281369 0.211243 0.035669 H\n0.211243 0.281369 0.464331 H\n0.718630 0.788756 0.964331 H\n0.788755 0.718630 0.535668 H\n0.852362 0.516043 0.483301 H\n0.516043 0.852362 0.016698 H\n0.147636 0.483956 0.516698 H\n0.483955 0.147637 0.983301 H\n0.159751 0.643204 0.690166 H\n0.643204 0.159751 0.809833 H\n0.840247 0.356795 0.309833 H\n0.356795 0.840248 0.190167 H\n0.888677 0.956199 0.344929 H\n0.415150 0.059410 0.521834 I\n0.059410 0.415151 0.978165 I\n0.940589 0.584848 0.021835 I\n0.584848 0.940589 0.478165 I\n0.775523 0.715525 0.138972 O\n0.284474 0.224476 0.638971 O\n0.224476 0.284474 0.861028 O\n0.297209 0.172207 0.137306 O\n0.172207 0.297209 0.362694 O\n0.702789 0.827792 0.862693 O\n0.827791 0.702790 0.637306 O\n0.362418 0.936713 0.385658 O\n0.936713 0.362418 0.114342 O\n0.637580 0.063286 0.614342 O\n0.063285 0.637581 0.885657 O\n0.685151 0.402268 0.420754 O\n0.402268 0.685151 0.079246 O\n0.597730 0.314848 0.920753 O\n0.120836 0.704091 0.597103 O\n0.704091 0.120837 0.902896 O\n0.879162 0.295908 0.402896 O\n0.295908 0.879162 0.097103 O\n0.522223 0.183058 0.665536 O\n0.183057 0.522223 0.834464 O\n0.477776 0.816941 0.334464 O\n0.816941 0.477776 0.165536 O\n0.203094 0.038336 0.406469 O\n0.038336 0.203094 0.093531 O\n0.796904 0.961663 0.593530 O\n0.961662 0.796905 0.906469 O\n0.314847 0.597731 0.579246 O\n0.715525 0.775523 0.361028 O\n",
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{
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"structure_string": "Ca2 H24 C16 O8\n1.0\n4.194802 -0.012818 0.104684\n0.368520 7.945648 0.937100\n0.059072 0.097604 12.175074\nCa H C O\n2 24 16 8\ndirect\n0.924373 0.495091 0.840984 Ca\n0.924373 -0.004908 0.840983 Ca\n0.816470 0.349115 0.463225 H\n0.818057 0.136285 0.521200 H\n0.818046 0.636285 0.521198 H\n0.267464 0.181780 0.602611 H\n0.267457 0.681780 0.602612 H\n0.265156 0.895617 0.549311 H\n0.265165 0.395617 0.549310 H\n0.322287 0.301055 0.355760 H\n0.322273 0.801055 0.355759 H\n0.348597 0.087948 0.411348 H\n0.348577 0.587949 0.411348 H\n0.816457 0.849114 0.463222 H\n0.861189 0.769662 0.262148 H\n0.861198 0.269667 0.262147 H\n0.447891 0.836988 0.115430 H\n0.149336 0.689661 0.110256 H\n0.149343 0.189646 0.110259 H\n0.416828 0.487772 0.231345 H\n0.447883 0.336983 0.115432 H\n0.776977 0.015423 0.155904 H\n0.776956 0.515423 0.155904 H\n0.905644 0.563645 0.330062 H\n0.905667 0.063652 0.330061 H\n0.416854 0.987769 0.231349 H\n0.493150 0.198265 0.386061 C\n0.406343 0.206271 0.106277 C\n0.406337 0.706277 0.106275 C\n0.582402 0.083768 0.196514 C\n0.582382 0.583769 0.196512 C\n0.727160 0.157803 0.293243 C\n0.727142 0.657800 0.293243 C\n0.493134 0.698265 0.386062 C\n0.423702 0.287378 0.578782 C\n0.660375 0.743300 0.487920 C\n0.423694 0.787378 0.578781 C\n0.534295 0.174901 0.992748 C\n0.534289 0.674903 0.992748 C\n0.567620 0.322590 0.685758 C\n0.567614 0.822590 0.685757 C\n0.660388 0.243299 0.487920 C\n0.426854 0.930350 0.741913 O\n0.828427 0.745655 0.717938 O\n0.828432 0.245655 0.717939 O\n0.403694 0.570725 0.938606 O\n0.403698 0.070727 0.938605 O\n0.793597 0.744098 0.957268 O\n0.793603 0.244098 0.957270 O\n0.426854 0.430350 0.741914 O\n",
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}