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{
"id": "jvasp-97540",
"created_at": "2022-09-04T14:35:59.861427Z",
"updated_at": "2022-09-04T14:35:59.861457Z",
"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
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{
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"structure_string": "Cd1 H4 C4 O4\n1.0\n4.068724 0.056177 0.508557\n0.898827 3.967315 0.537615\n0.031518 -0.025620 7.450774\nCd H C O\n1 4 4 4\ndirect\n0.301597 0.209757 0.716522 Cd\n0.527441 0.134148 0.338732 H\n0.958180 -0.007818 0.258456 H\n0.376639 0.982588 0.094039 H\n0.519517 0.552294 0.174610 H\n0.765245 0.652817 0.461849 C\n0.720843 0.913872 0.298110 C\n0.597308 0.789757 0.134844 C\n0.858580 0.745709 0.971205 C\n0.528384 0.684606 0.595574 O\n0.025665 0.411000 0.461223 O\n0.826893 0.982866 0.837610 O\n0.100383 0.485327 0.971773 O\n",
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{
"id": "jvasp-112189",
"created_at": "2022-09-04T14:38:45.998713Z",
"updated_at": "2022-09-04T14:38:45.998729Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n3.515317 0.000138 0.962669\n1.465914 6.729213 1.547246\n-0.022773 -0.156740 6.982985\nSn H C F\n2 8 4 4\ndirect\n0.412046 0.541775 0.490100 Sn\n0.912655 0.041815 0.990068 Sn\n0.002834 0.367319 0.085685 H\n0.321702 0.216307 0.394477 H\n0.799893 0.174628 0.431726 H\n0.524656 0.408936 0.048445 H\n0.374298 0.908932 0.548410 H\n0.424045 0.716304 0.894461 H\n0.950243 0.674674 0.931769 H\n0.900537 0.867249 0.585722 H\n0.586928 0.273648 0.351819 C\n0.737651 0.309943 0.128348 C\n0.180479 0.809919 0.628356 C\n0.144115 0.773662 0.851822 C\n0.463074 0.139394 0.805399 F\n0.948627 0.639367 0.305434 F\n0.861574 0.444179 0.674770 F\n0.376010 0.944215 0.174741 F\n",
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{
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"created_at": "2022-09-04T14:37:54.115799Z",
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"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n5.788910 -0.007888 -0.002932\n-2.887524 5.017146 -0.000965\n-2.894408 -1.664764 4.767554\nLi Cr Fe O\n3 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500001 0.500001 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.500001 0.500000 0.000001 Cr\n0.500000 -0.000000 0.000000 Cr\n0.000001 0.500001 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.483661 0.741825 0.225507 O\n0.982675 0.233484 0.216180 O\n0.982676 0.749183 0.216179 O\n0.516340 0.258176 0.774494 O\n0.466973 0.233481 0.216176 O\n0.017327 0.766518 0.783820 O\n0.017325 0.250818 0.783822 O\n0.533029 0.766521 0.783825 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.150197Z",
"structure_string": "Tm1 Fe4 Cu3 O12\n1.0\n5.855166 -0.000000 -2.070114\n-2.927583 5.070723 -2.070114\n-0.000000 -0.000000 6.210342\nTm Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.298602 0.823789 0.122391 O\n0.701399 0.176211 0.877610 O\n0.474812 0.298601 0.176211 O\n0.525188 0.701398 0.823790 O\n0.122391 0.298601 0.823789 O\n0.823790 0.122391 0.298602 O\n0.176211 0.474812 0.298602 O\n0.823790 0.525188 0.701399 O\n0.701399 0.823789 0.525189 O\n0.176211 0.877609 0.701399 O\n0.877610 0.701398 0.176212 O\n0.298602 0.176211 0.474812 O\n",
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{
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"updated_at": "2022-09-04T14:36:15.673426Z",
"structure_string": "Co10 B4 P2\n1.0\n-2.645961 2.645961 5.267250\n2.645961 -2.645961 5.267250\n2.645961 2.645961 -5.267250\nCo B P\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.811025 0.311026 0.840441 Co\n0.470585 0.970584 0.159559 Co\n0.311026 0.470584 0.500000 Co\n0.970584 0.811026 0.500000 Co\n0.029415 0.188974 0.500000 Co\n0.688974 0.529415 0.500000 Co\n0.529415 0.029415 0.840441 Co\n0.188974 0.688974 0.159559 Co\n0.877429 0.377430 0.254858 B\n0.122570 0.622570 0.745141 B\n0.377429 0.122570 0.500000 B\n0.622570 0.877429 0.500000 B\n0.250000 0.250000 0.000000 P\n0.750000 0.750000 0.000000 P\n",
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},
{
"id": "jvasp-48632",
"created_at": "2022-09-04T14:37:00.976979Z",
"updated_at": "2022-09-04T14:37:00.977001Z",
"structure_string": "Co8 O12 F4\n1.0\n4.368350 -0.111038 0.000000\n-0.111038 4.368350 -0.000000\n-0.000000 0.000000 11.602261\nCo O F\n8 12 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.989535 0.010464 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.010464 0.989535 0.750000 Co\n0.526266 0.473734 0.125211 Co\n0.473734 0.526266 0.625211 Co\n0.526266 0.473734 0.374789 Co\n0.473734 0.526266 0.874789 Co\n0.813575 0.186425 0.374728 O\n0.813575 0.186425 0.125271 O\n0.681327 0.711558 0.750000 O\n0.695746 0.695746 0.500000 O\n0.711558 0.681327 0.250000 O\n0.695746 0.695746 0.000000 O\n0.318672 0.288442 0.250000 O\n0.288442 0.318672 0.750000 O\n0.304253 0.304253 0.000000 O\n0.186425 0.813575 0.874728 O\n0.186425 0.813575 0.625271 O\n0.304253 0.304253 0.500000 O\n0.787152 0.212847 0.628721 F\n0.212847 0.787152 0.128721 F\n0.212847 0.787152 0.371279 F\n0.787152 0.212847 0.871279 F\n",
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{
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"created_at": "2022-09-04T14:38:32.775601Z",
"updated_at": "2022-09-04T14:38:32.775615Z",
"structure_string": "Li4 Ti2 Co6 O16\n1.0\n5.689920 0.000025 0.000029\n-2.844938 4.927577 -0.000058\n0.000064 -0.000111 9.206595\nLi Ti Co O\n4 2 6 16\ndirect\n0.333346 0.666695 0.893110 Li\n-0.000075 -0.000076 0.997995 Li\n0.000074 -0.000004 0.497995 Li\n0.666653 0.333348 0.393110 Li\n0.333381 0.666695 0.495460 Ti\n0.666619 0.333315 0.995460 Ti\n0.830168 0.169929 0.715017 Co\n0.830160 0.660268 0.715023 Co\n0.339819 0.169931 0.715017 Co\n0.169832 0.339760 0.215017 Co\n0.169840 0.830107 0.215023 Co\n0.660181 0.830113 0.215017 Co\n0.328967 0.164490 0.099886 O\n0.835435 0.670950 0.099909 O\n0.666721 0.333370 0.609499 O\n0.518425 0.036809 0.835254 O\n0.518425 0.481664 0.835266 O\n0.671033 0.835523 0.599885 O\n0.481574 0.518384 0.335254 O\n0.036753 0.518400 0.335271 O\n0.164561 0.329056 0.599894 O\n0.000048 0.000049 0.807315 O\n-0.000048 0.000001 0.307315 O\n0.333279 0.666648 0.109499 O\n0.963246 0.481648 0.835271 O\n0.164565 0.835514 0.599909 O\n0.481575 0.963239 0.335266 O\n0.835439 0.164496 0.099894 O\n",
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{
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"structure_string": "Ni1 H12 Cl2 O6\n1.0\n5.556073 0.030858 2.750520\n1.166058 5.432422 2.750520\n0.072798 0.059165 6.481004\nNi H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.199330 0.582253 0.280484 H\n0.417746 0.800669 0.719515 H\n0.800670 0.417746 0.719514 H\n0.674907 0.209815 0.766980 H\n0.790183 0.325094 0.233020 H\n0.731519 0.731518 0.842384 H\n0.209816 0.674905 0.766980 H\n0.181350 0.181351 0.452507 H\n0.818650 0.818651 0.547491 H\n0.268482 0.268481 0.157614 H\n0.325094 0.790184 0.233019 H\n0.582253 0.199330 0.280485 H\n0.276213 0.276212 0.826696 Cl\n0.723787 0.723787 0.173305 Cl\n0.715312 0.715310 0.704338 O\n0.284689 0.284688 0.295663 O\n0.834106 0.238999 0.739088 O\n0.761001 0.165894 0.260910 O\n0.239000 0.834105 0.739088 O\n0.165894 0.761000 0.260910 O\n",
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{
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"structure_string": "Li1 Ni1 O2\n1.0\n2.986505 0.092534 -0.058012\n-1.410236 2.445850 -0.001121\n-0.105755 -0.062804 4.962164\nLi Ni O\n1 1 2\ndirect\n0.672306 0.336551 0.403006 Li\n0.010222 0.004980 0.970561 Ni\n0.299485 0.649874 0.198490 O\n0.684483 0.341899 0.778744 O\n",
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},
{
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"created_at": "2022-09-04T14:38:31.147495Z",
"updated_at": "2022-09-04T14:38:31.147525Z",
"structure_string": "Li2 Co2 Ni2 O8\n1.0\n4.913067 -0.007566 -2.829625\n-1.636060 4.638568 -2.819939\n-0.016893 0.007566 5.669631\nLi Co Ni O\n2 2 2 8\ndirect\n0.128882 0.878882 0.250000 Li\n0.871119 0.121118 0.750000 Li\n0.000000 0.500001 0.500000 Co\n0.500000 0.500000 -0.000001 Co\n0.500001 0.500000 0.500000 Ni\n0.500000 -0.000000 -0.000001 Ni\n0.263517 0.292335 0.528818 O\n0.263309 0.736502 0.526807 O\n0.709695 0.736502 0.973193 O\n0.263518 0.734701 0.971182 O\n0.736484 0.265300 0.028817 O\n0.736693 0.263499 0.473193 O\n0.290307 0.263499 0.026806 O\n0.736484 0.707665 0.471182 O\n",
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{
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"structure_string": "Li1 Ni1 O2\n1.0\n2.823704 -0.002662 0.001970\n-1.409399 2.634696 0.022789\n-0.007486 -0.278027 4.956092\nLi Ni O\n1 1 2\ndirect\n0.663314 0.327645 0.596956 Li\n0.995110 0.989881 0.029435 Ni\n0.350010 0.700280 0.801560 O\n0.658260 0.315699 0.221248 O\n",
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}
]
}