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{
"id": "jvasp-44142",
"created_at": "2022-09-04T14:38:27.109525Z",
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{
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{
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"updated_at": "2022-09-04T14:36:56.410193Z",
"structure_string": "Ti1 H6 C4 O4\n1.0\n4.932412 0.094216 -1.962445\n-1.130246 4.716674 -2.607193\n0.127970 0.210108 6.133743\nTi H C O\n1 6 4 4\ndirect\n0.522916 0.007834 0.251904 Ti\n0.873149 0.175562 0.728960 H\n-0.011366 0.874432 0.540331 H\n0.043751 0.187881 0.524713 H\n0.057335 0.585720 0.963244 H\n0.002120 0.914733 0.978942 H\n0.172805 0.698670 0.774700 H\n0.905878 0.056930 0.544820 C\n0.140047 0.763866 0.958812 C\n0.464551 0.548865 0.358202 C\n0.581284 0.442715 0.145589 C\n0.419538 0.370620 0.430948 O\n0.421443 0.790669 0.440573 O\n0.626311 0.191843 0.072866 O\n0.624380 0.602253 0.063202 O\n",
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{
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"structure_string": "P4 H12 O16\n1.0\n6.057224 0.000000 -0.563816\n0.000000 5.315484 0.000000\n-0.176163 0.000000 9.800900\nP H O\n4 12 16\ndirect\n0.216796 0.209082 0.665916 P\n0.783204 0.709082 0.834084 P\n0.783204 0.790917 0.334084 P\n0.216796 0.290918 0.165916 P\n0.539510 0.105702 0.332402 H\n0.539510 0.394297 0.832402 H\n0.460490 0.894297 0.667598 H\n0.869518 0.436422 0.155796 H\n0.130482 0.936422 0.344203 H\n0.460489 0.605702 0.167598 H\n0.869518 0.063577 0.655796 H\n0.298981 0.167636 0.962521 H\n0.701019 0.667636 0.537479 H\n0.701019 0.832363 0.037479 H\n0.298981 0.332363 0.462521 H\n0.130482 0.563577 0.844203 H\n0.704465 0.432419 0.847089 O\n0.295535 0.932419 0.652910 O\n0.283135 0.177439 0.308269 O\n0.716864 0.677439 0.191731 O\n0.716864 0.822560 0.691731 O\n0.283136 0.322560 0.808269 O\n0.962358 0.291461 0.126990 O\n0.962359 0.208538 0.626990 O\n0.037642 0.708538 0.873009 O\n0.319562 0.116514 0.061823 O\n0.680438 0.616513 0.438177 O\n0.680438 0.883485 0.938177 O\n0.319562 0.383486 0.561823 O\n0.704465 0.067580 0.347089 O\n0.037641 0.791461 0.373009 O\n0.295535 0.567580 0.152910 O\n",
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{
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"created_at": "2022-09-04T14:38:05.308941Z",
"updated_at": "2022-09-04T14:38:05.308951Z",
"structure_string": "Mo2 Pd2 H24 N8 O8\n1.0\n-3.732566 3.732770 7.773051\n3.732566 -3.732273 7.772812\n3.732566 3.732273 -7.772812\nMo Pd H N O\n2 2 24 8 8\ndirect\n0.875001 0.124999 0.750002 Mo\n0.124999 0.875002 0.249998 Mo\n0.375000 0.625001 0.750000 Pd\n0.625000 0.374999 0.250000 Pd\n0.014126 0.708348 0.528781 H\n0.679568 0.708347 0.194224 H\n0.708347 0.014119 0.028777 H\n0.485347 0.014122 0.805778 H\n0.679568 0.485345 0.971221 H\n0.708347 0.679569 0.694227 H\n0.485347 0.679569 0.471224 H\n0.985874 0.291653 0.471220 H\n0.320432 0.291653 0.805777 H\n0.291653 0.985881 0.971223 H\n0.014126 0.485346 0.305779 H\n0.985874 0.514655 0.694221 H\n0.514653 0.985878 0.194223 H\n0.309483 0.249644 0.440166 H\n0.249646 0.309480 0.940168 H\n0.869317 0.309478 0.559838 H\n0.309483 0.869317 0.059841 H\n0.750354 0.690521 0.059832 H\n0.690517 0.750357 0.559835 H\n0.130683 0.690522 0.440162 H\n0.690517 0.130683 0.940160 H\n0.514653 0.320431 0.528776 H\n0.291653 0.320432 0.305774 H\n0.320432 0.514656 0.028780 H\n0.651535 0.625605 0.025932 N\n0.099671 0.625604 0.474068 N\n0.625602 0.099669 0.974065 N\n0.625602 0.651536 0.525933 N\n0.348465 0.374396 0.974069 N\n0.900329 0.374397 0.525932 N\n0.374398 0.348464 0.474067 N\n0.374398 0.900331 0.025936 N\n0.255362 0.809496 0.445868 O\n0.190503 0.136368 0.445862 O\n0.136360 0.190503 0.945858 O\n0.744638 0.190505 0.554133 O\n0.190504 0.744642 0.054136 O\n0.809496 0.863632 0.554139 O\n0.863640 0.809498 0.054143 O\n0.809496 0.255359 0.945864 O\n",
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{
"id": "jvasp-11037",
"created_at": "2022-09-04T14:37:18.934682Z",
"updated_at": "2022-09-04T14:37:18.934709Z",
"structure_string": "Mg4 Co4 O8\n1.0\n2.896002 -0.246552 -0.228912\n0.655948 7.282592 0.439434\n0.654279 0.774998 7.415307\nMg Co O\n4 4 8\ndirect\n0.762129 0.027917 0.793881 Mg\n0.261948 0.952001 0.177928 Mg\n0.262057 0.676146 0.938224 Mg\n0.761999 0.303766 0.033568 Mg\n0.262092 0.254213 0.390456 Co\n0.262177 0.402131 0.679002 Co\n0.761849 0.577786 0.292792 Co\n0.761968 0.725714 0.581342 Co\n0.261759 0.729770 0.388978 O\n0.261954 0.452183 0.157520 O\n0.762075 0.527734 0.814278 O\n0.762269 0.250136 0.582818 O\n0.761915 0.115636 0.266561 O\n0.262083 0.167627 0.918324 O\n0.262144 0.864289 0.705231 O\n-0.238026 0.812288 0.053483 O\n",
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{
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"created_at": "2022-09-04T14:35:51.092450Z",
"updated_at": "2022-09-04T14:35:51.092472Z",
"structure_string": "Li6 Fe2 F12\n1.0\n2.485067 -4.304262 -0.000000\n2.485067 4.304262 -0.000000\n-0.000000 -0.000000 9.203036\nLi Fe F\n6 2 12\ndirect\n0.666667 0.333334 0.042759 Li\n0.666667 0.333334 0.750000 Li\n0.333334 0.666667 0.250000 Li\n0.333334 0.666667 0.957241 Li\n0.333334 0.666667 0.542760 Li\n0.666667 0.333334 0.457241 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.027731 0.696422 0.111266 F\n0.972270 0.668692 0.611266 F\n0.303579 0.331309 0.111266 F\n0.331309 0.303579 0.611266 F\n0.303579 0.972270 0.388734 F\n0.696422 0.027731 0.611266 F\n0.027731 0.331309 0.388734 F\n0.972270 0.303579 0.888734 F\n0.668692 0.696422 0.388734 F\n0.668692 0.972270 0.111266 F\n0.331309 0.027731 0.888734 F\n0.696422 0.668692 0.888734 F\n",
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{
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"structure_string": "Ti4 O8\n1.0\n0.000000 4.830002 -0.014882\n4.902779 0.000000 0.000000\n0.000000 -0.874713 -4.985349\nTi O\n4 8\ndirect\n0.721794 0.553392 0.286272 Ti\n0.278206 0.053392 0.213728 Ti\n0.278206 0.446608 0.713728 Ti\n0.721794 0.946608 0.786272 Ti\n0.556043 0.258300 0.031485 O\n0.443957 0.758300 0.468514 O\n0.443957 0.741700 0.968514 O\n0.556043 0.241700 0.531485 O\n0.934597 0.673713 0.652128 O\n0.065403 0.173713 0.847872 O\n0.065403 0.326287 0.347872 O\n0.934597 0.826287 0.152128 O\n",
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{
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{
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{
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