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{
"id": "jvasp-47760",
"created_at": "2022-09-04T14:35:44.264300Z",
"updated_at": "2022-09-04T14:35:44.264325Z",
"structure_string": "Li6 Cr2 Si2 O10\n1.0\n5.029105 0.013863 0.005660\n1.620660 5.457082 -0.003010\n1.497587 1.083066 5.913097\nLi Cr Si O\n6 2 2 10\ndirect\n0.508147 0.247001 0.996175 Li\n0.306001 0.446060 0.398208 Li\n0.314869 0.947784 0.394776 Li\n0.685130 0.052216 0.605225 Li\n0.693999 0.553940 0.601793 Li\n0.491852 0.752998 0.003826 Li\n0.899742 0.345522 0.214728 Cr\n0.100258 0.654477 0.785273 Cr\n0.102666 0.151497 0.784512 Si\n0.897334 0.848502 0.215488 Si\n0.355266 0.333747 0.717694 O\n0.642077 0.122977 0.284768 O\n0.644733 0.666253 0.282307 O\n0.159723 0.045518 0.093973 O\n0.002092 0.756151 0.477293 O\n0.161746 0.576234 0.105682 O\n0.838253 0.423766 0.894319 O\n0.997907 0.243849 0.522708 O\n0.840276 0.954481 0.906027 O\n0.357922 0.877022 0.715233 O\n",
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{
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"structure_string": "Mn2 Co2 B4\n1.0\n3.006335 0.000000 0.000000\n0.000000 3.994501 0.000000\n0.000000 0.000000 5.399429\nMn Co B\n2 2 4\ndirect\n0.500001 0.374018 0.321223 Mn\n0.500001 0.625981 0.821223 Mn\n0.000000 0.134903 0.678350 Co\n0.000000 0.865097 0.178350 Co\n0.000000 0.641392 0.533049 B\n0.000000 0.358608 0.033048 B\n0.500001 0.874157 0.467379 B\n0.500001 0.125842 0.967379 B\n",
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{
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"created_at": "2022-09-04T14:38:43.369817Z",
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"structure_string": "Li6 Co4 O10\n1.0\n11.685941 0.021162 1.066717\n11.338349 2.829047 1.066717\n-0.036835 -0.004560 4.935571\nLi Co O\n6 4 10\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.403091 0.403092 0.703179 Li\n0.801580 0.801581 0.897702 Li\n0.198420 0.198420 0.102299 Li\n0.596908 0.596908 0.296822 Li\n0.500000 0.500000 0.000001 Li\n0.299944 0.299945 0.398358 Co\n0.700055 0.700056 0.601643 Co\n0.097165 0.097166 0.806608 Co\n0.902834 0.902835 0.193393 Co\n0.248050 0.248050 0.724418 O\n0.945574 0.945575 0.869571 O\n0.351743 0.351743 0.078443 O\n0.751949 0.751950 0.275583 O\n0.153637 0.153637 0.483169 O\n0.555981 0.555982 0.663857 O\n0.054425 0.054425 0.130429 O\n0.444018 0.444018 0.336144 O\n0.846362 0.846363 0.516832 O\n0.648256 0.648257 0.921558 O\n",
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{
"id": "jvasp-110325",
"created_at": "2022-09-04T14:38:15.666011Z",
"updated_at": "2022-09-04T14:38:15.666038Z",
"structure_string": "Li2 V1 Fe1 O4\n1.0\n3.614329 -0.079945 -3.363860\n-0.738854 3.538906 -3.363860\n0.066459 0.079945 4.937055\nLi V Fe O\n2 1 1 4\ndirect\n0.250001 0.750001 0.500002 Li\n0.500001 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.750001 0.250000 0.500001 Fe\n0.505760 0.005760 0.500001 O\n0.237676 0.237675 0.000000 O\n0.994241 0.494240 0.500001 O\n0.762326 0.762324 0.000001 O\n",
"nsites": 8,
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{
"id": "jvasp-112134",
"created_at": "2022-09-04T14:38:45.309240Z",
"updated_at": "2022-09-04T14:38:45.309258Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.062418 0.155758 -0.112071\n1.473371 4.258381 0.184904\n-0.295491 0.252942 16.164816\nZn H C O\n1 18 11 4\ndirect\n0.839760 -0.051768 0.155969 Zn\n0.659654 0.264331 0.504009 H\n0.633627 0.777174 0.428703 H\n0.078420 0.767867 0.890820 H\n0.585866 0.697380 0.744893 H\n0.121834 0.822019 0.733058 H\n0.611528 0.738059 0.585974 H\n0.147172 0.865675 0.575047 H\n0.195421 0.393098 0.492562 H\n0.541359 0.656773 0.904482 H\n0.588547 0.129339 0.975963 H\n0.128441 0.235953 0.959704 H\n0.618702 0.183276 0.819026 H\n0.156154 0.299904 0.805310 H\n0.640250 0.225698 0.661311 H\n0.176357 0.350987 0.649857 H\n0.690675 0.295340 0.347017 H\n0.220813 0.433097 0.332569 H\n0.169189 0.901576 0.415519 H\n0.274082 0.486516 0.051453 C\n0.338463 0.334284 0.969525 C\n0.329177 0.561367 0.895015 C\n0.370215 0.393929 0.813993 C\n0.367241 0.608531 0.737443 C\n0.414445 0.688845 0.421755 C\n0.391244 0.650854 0.579454 C\n0.416107 0.479709 0.499319 C\n0.447236 0.508522 0.342469 C\n0.453767 0.716286 0.266715 C\n0.395264 0.439819 0.656827 C\n0.029496 0.763601 0.050884 O\n0.738782 0.637016 0.229663 O\n0.183017 0.966811 0.244421 O\n0.443644 0.343033 0.118574 O\n",
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"formula_full": "Zn1 H18 C11 O4",
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{
"id": "jvasp-101916",
"created_at": "2022-09-04T14:36:48.165639Z",
"updated_at": "2022-09-04T14:36:48.165649Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.847093 0.126378 0.202827\n1.701621 4.384591 0.131060\n-0.367099 0.207818 12.147636\nZn H C O\n1 12 8 4\ndirect\n0.581274 0.903612 0.181545 Zn\n0.409210 0.615036 0.488582 H\n0.725327 0.646727 0.916541 H\n0.234992 0.777154 0.926135 H\n0.585165 0.644503 0.698049 H\n0.107638 0.725048 0.728827 H\n0.659967 0.143034 0.616118 H\n0.945370 0.671038 0.529240 H\n0.775802 0.168188 0.823355 H\n0.298934 0.246343 0.850521 H\n0.513396 0.092268 0.415941 H\n0.067074 0.130648 0.462684 H\n0.195137 0.202139 0.654869 H\n0.521450 0.414913 0.039076 C\n0.494485 0.564898 0.925301 C\n0.496124 0.358284 0.830660 C\n0.387400 0.534383 0.720251 C\n0.231591 0.492990 0.517893 C\n0.228013 0.265973 0.431507 C\n0.056338 0.399079 0.320951 C\n0.375515 0.324907 0.628030 C\n0.418345 0.584980 0.122580 O\n0.099544 0.216341 0.242176 O\n0.859432 0.690352 0.313454 O\n0.636312 0.119574 0.045211 O\n",
"nsites": 25,
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{
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"created_at": "2022-09-04T14:37:14.822724Z",
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"structure_string": "Li1 F1\n1.0\n2.530061 -0.000000 -0.000000\n0.000000 2.530061 -0.000000\n0.000000 0.000000 2.530061\nLi F\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 F\n",
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{
"id": "jvasp-8603",
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"updated_at": "2022-09-04T14:36:41.598373Z",
"structure_string": "Cu2 H2\n1.0\n1.426714 -2.471141 0.000000\n1.426714 2.471141 0.000000\n0.000000 -0.000000 4.593401\nCu H\n2 2\ndirect\n0.666665 0.333332 0.502192 Cu\n0.333332 0.666665 0.002192 Cu\n0.666665 0.333332 0.122808 H\n0.333332 0.666665 0.622808 H\n",
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{
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"created_at": "2022-09-04T14:36:31.203212Z",
"updated_at": "2022-09-04T14:36:31.203234Z",
"structure_string": "Lu2 H6 O6\n1.0\n3.092428 -5.356242 -0.000000\n3.092428 5.356242 0.000000\n0.000000 -0.000000 3.421932\nLu H O\n2 6 6\ndirect\n0.666667 0.333333 0.750000 Lu\n0.333333 0.666667 0.250000 Lu\n0.275746 0.143856 0.250000 H\n0.868109 0.724255 0.250000 H\n0.143856 0.868109 0.750000 H\n0.856145 0.131892 0.250000 H\n0.131891 0.275746 0.750000 H\n0.724255 0.856145 0.750000 H\n0.396614 0.086144 0.250000 O\n0.689530 0.603386 0.250000 O\n0.086144 0.689529 0.750000 O\n0.913857 0.310471 0.250000 O\n0.310471 0.396614 0.750000 O\n0.603386 0.913857 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:36:19.018811Z",
"updated_at": "2022-09-04T14:36:19.018833Z",
"structure_string": "Li4 Fe4 O8\n1.0\n-5.679821 -0.000132 0.000188\n-2.839869 -4.918712 0.000169\n-2.839870 1.639531 4.637421\nLi Fe O\n4 4 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.984175 0.757923 0.773727 O\n0.984175 0.757902 0.242098 O\n0.484175 0.773727 0.757924 O\n0.515825 0.757902 0.242097 O\n0.484175 0.242098 0.757903 O\n0.515825 0.226273 0.242077 O\n0.015825 0.242097 0.757902 O\n0.015825 0.242077 0.226273 O\n",
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{
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"structure_string": "Cd1 H12 C8 O4\n1.0\n4.039981 -0.081997 -0.350977\n-0.866040 4.009591 0.038974\n-0.276020 0.092723 12.573411\nCd H C O\n1 12 8 4\ndirect\n0.100152 0.635724 0.176907 Cd\n0.704940 0.802351 0.545057 H\n0.187301 0.846526 0.936410 H\n0.614780 0.962891 0.904167 H\n0.948549 0.831818 0.743923 H\n0.365193 0.925842 0.705902 H\n0.835183 0.345680 0.647897 H\n0.124115 0.897686 0.507856 H\n0.076274 0.373895 0.845928 H\n0.495483 0.469130 0.808753 H\n0.585432 0.308510 0.449649 H\n0.012890 0.425014 0.417390 H\n0.251825 0.439713 0.609871 H\n0.500988 0.266644 0.022988 C\n0.395397 0.059915 0.921538 C\n0.282296 0.260877 0.825419 C\n0.159326 0.041114 0.725630 C\n0.918075 0.010645 0.528382 C\n0.804858 0.211574 0.432268 C\n0.699315 0.004821 0.330822 C\n0.041051 0.230414 0.628168 C\n0.326281 0.194023 0.102703 O\n0.439577 0.759090 0.329569 O\n0.874061 0.077429 0.251116 O\n0.760741 0.512360 0.024238 O\n",
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{
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]
}