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{
"id": "jvasp-8250",
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"structure_string": "Ca1 Cr1 F6\n1.0\n5.657061 0.111057 0.076569\n3.214544 4.656327 0.076569\n3.214544 1.727417 4.324728\nCa Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499998 0.500001 0.500000 Cr\n0.134058 0.427657 0.715164 F\n0.427655 0.715165 0.134060 F\n0.715163 0.134060 0.427657 F\n0.284834 0.865942 0.572344 F\n0.572342 0.284837 0.865941 F\n0.865939 0.572345 0.284837 F\n",
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{
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"structure_string": "Rb2 N2\n1.0\n0.000000 -4.031739 0.000000\n-4.479240 0.000000 0.306770\n-0.405173 0.000000 -5.902748\nRb N\n2 2\ndirect\n0.750000 0.750589 0.750010 Rb\n0.250000 0.249410 0.249991 Rb\n0.750000 0.749276 0.250014 N\n0.250000 0.250723 0.749986 N\n",
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{
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"structure_string": "Na1 Al1 Se1\n1.0\n5.203322 -0.000000 0.000000\n-2.601661 4.506209 -0.000000\n-0.000000 0.000000 2.960041\nNa Al Se\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:38:16.119891Z",
"updated_at": "2022-09-04T14:38:16.119926Z",
"structure_string": "Li4 Cr2 P2 O8 F2\n1.0\n5.220306 0.017495 0.005720\n-0.388278 5.504658 0.025762\n-2.183429 -2.415443 6.721596\nLi Cr P O F\n4 2 2 8 2\ndirect\n0.114688 0.534899 0.094629 Li\n0.525927 0.215439 0.853473 Li\n0.500812 0.882835 0.467193 Li\n0.753234 0.443261 0.643911 Li\n-0.001742 0.004513 0.022302 Cr\n0.008026 0.994491 0.509804 Cr\n0.641127 0.330265 0.252954 P\n0.365509 0.682960 0.795756 P\n0.349472 0.262986 0.096096 O\n0.685376 0.596591 0.411292 O\n0.639583 0.788167 0.963888 O\n0.836254 0.321433 0.127861 O\n0.692244 0.134063 0.365567 O\n0.376670 0.407307 0.672300 O\n0.322794 0.870637 0.672025 O\n0.120757 0.675949 0.877056 O\n0.838127 0.133758 0.723798 F\n0.159027 0.852079 0.291510 F\n",
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{
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"structure_string": "Mg4 Ti4\n1.0\n2.925857 0.000000 0.000000\n0.000000 4.880218 0.000000\n0.000000 0.000000 10.881679\nMg Ti\n4 4\ndirect\n0.000000 0.000000 0.559563 Mg\n0.500000 0.000000 0.285476 Mg\n0.000000 0.500000 0.714524 Mg\n0.500000 0.500000 0.440437 Mg\n0.000000 0.000000 0.038369 Ti\n0.500000 0.000000 0.822014 Ti\n0.000000 0.500000 0.177986 Ti\n0.500000 0.500000 0.961631 Ti\n",
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{
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"created_at": "2022-09-04T14:37:04.090990Z",
"updated_at": "2022-09-04T14:37:04.091007Z",
"structure_string": "H1 Br1\n1.0\n1.682080 3.597610 0.000000\n-0.000000 3.597610 3.597904\n1.682080 -0.000000 3.597904\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500001 0.500000 0.499999 Br\n",
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{
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"created_at": "2022-09-04T14:38:05.876551Z",
"updated_at": "2022-09-04T14:38:05.876578Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n3.729439 3.749539 0.000000\n-3.729439 3.749539 0.000000\n0.000000 0.000000 6.303716\nLi Al Co O\n4 2 2 8\ndirect\n0.314312 0.685689 0.500000 Li\n0.182148 0.182148 0.750000 Li\n0.817852 0.817852 0.250000 Li\n0.685689 0.314312 0.000000 Li\n0.323905 0.676095 0.000000 Al\n0.676095 0.323905 0.500000 Al\n0.825906 0.825906 0.750000 Co\n0.174094 0.174094 0.250000 Co\n0.197901 0.817923 0.232576 O\n0.182078 0.802099 0.767425 O\n0.295849 0.339392 0.009827 O\n0.660608 0.704151 0.990174 O\n0.339392 0.295849 0.490174 O\n0.704151 0.660608 0.509827 O\n0.802099 0.182078 0.732576 O\n0.817923 0.197901 0.267424 O\n",
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{
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"created_at": "2022-09-04T14:36:07.147249Z",
"updated_at": "2022-09-04T14:36:07.147272Z",
"structure_string": "Mg4 Ti4\n1.0\n6.142826 0.000000 0.000000\n-3.071413 5.319845 -0.000000\n-0.000000 0.000000 4.754133\nMg Ti\n4 4\ndirect\n0.011504 0.505751 0.000000 Mg\n0.494248 0.505751 0.000000 Mg\n0.494248 0.988495 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.707891 0.853945 0.500000 Ti\n0.146055 0.292109 0.500000 Ti\n0.146055 0.853945 0.500000 Ti\n",
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{
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"created_at": "2022-09-04T14:35:49.898127Z",
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"structure_string": "Si4 P8 O28\n1.0\n4.719719 0.093114 0.000000\n0.013549 7.652106 0.000000\n0.000000 0.000000 12.040985\nSi P O\n4 8 28\ndirect\n0.283959 0.347643 0.849299 Si\n0.216041 0.152357 0.349299 Si\n0.783960 0.847643 0.650701 Si\n0.716041 0.652357 0.150701 Si\n0.715570 0.052485 0.195405 P\n0.302848 0.804393 0.482501 P\n0.284430 0.947515 0.804595 P\n0.215570 0.552486 0.304595 P\n0.802848 0.304393 0.017500 P\n0.697153 0.195607 0.517500 P\n0.784430 0.447514 0.695406 P\n0.197153 0.695607 0.982501 P\n0.085407 0.864899 0.566848 O\n0.828816 0.435420 0.112319 O\n0.671184 0.064579 0.612319 O\n0.171184 0.564580 0.887682 O\n0.328816 0.935421 0.387682 O\n0.585407 0.364899 0.933153 O\n0.914594 0.135101 0.433153 O\n0.414593 0.635101 0.066848 O\n0.512225 0.168528 0.261945 O\n0.910342 0.739638 0.035383 O\n0.987775 0.331472 0.761945 O\n0.487775 0.831472 0.738056 O\n0.012225 0.668528 0.238055 O\n0.021686 0.067177 0.233964 O\n0.478314 0.432823 0.733964 O\n0.978314 0.932823 0.766036 O\n0.521686 0.567177 0.266036 O\n0.410342 0.239638 0.464617 O\n0.610168 0.867446 0.186727 O\n0.389832 0.132554 0.813274 O\n0.110168 0.367446 0.313273 O\n0.202365 0.624529 0.430195 O\n0.297636 0.875471 0.930196 O\n0.797636 0.375471 0.569805 O\n0.702365 0.124529 0.069805 O\n0.589658 0.760362 0.535383 O\n0.889832 0.632554 0.686727 O\n0.089658 0.260362 0.964617 O\n",
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"structure_string": "K4 Zn2 Si4 O12\n1.0\n5.745253 -0.032216 -0.000000\n-2.293833 5.267572 -0.000000\n0.000000 -0.000000 10.542996\nK Zn Si O\n4 2 4 12\ndirect\n0.286486 0.943650 0.574002 K\n0.056350 0.713513 0.925999 K\n0.713513 0.056349 0.074001 K\n0.943649 0.286485 0.425999 K\n0.195024 0.804976 0.250000 Zn\n0.804976 0.195023 0.750000 Zn\n0.362186 0.330865 0.863475 Si\n0.330866 0.362186 0.136525 Si\n0.669134 0.637813 0.636525 Si\n0.637813 0.669134 0.363475 Si\n0.217078 0.054843 0.121083 O\n0.117572 0.473808 0.164646 O\n0.449870 0.550129 0.750000 O\n0.945157 0.782921 0.378917 O\n0.054843 0.217078 0.878917 O\n0.550129 0.449870 0.250000 O\n0.882427 0.526191 0.664646 O\n0.512007 0.512007 0.500000 O\n0.526191 0.882427 0.335354 O\n0.782922 0.945156 0.621084 O\n0.473808 0.117572 0.835354 O\n0.487993 0.487992 0.000000 O\n",
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{
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"structure_string": "Li2 Co2 Si2 O8\n1.0\n5.016560 -0.007085 -0.009346\n0.007535 5.174781 -0.000091\n0.046373 -0.000012 6.547651\nLi Co Si O\n2 2 2 8\ndirect\n0.499171 0.674867 0.758960 Li\n0.999172 0.325140 0.258970 Li\n0.995659 0.327431 0.761608 Co\n0.495639 0.672562 0.261601 Co\n0.494715 0.180041 0.508782 Si\n0.994691 0.819959 0.008800 Si\n0.058870 0.130948 0.998034 O\n0.112498 0.668725 0.805519 O\n0.628719 0.315345 0.712189 O\n0.169962 0.233468 0.519463 O\n0.558891 0.869047 0.498022 O\n0.612488 0.331255 0.305489 O\n0.128690 0.684665 0.212217 O\n0.669939 0.766540 0.019462 O\n",
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}