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{
"id": "jvasp-46252",
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"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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"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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"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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{
"id": "jvasp-12690",
"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",
"nsites": 18,
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"elements": [
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{
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"created_at": "2022-09-04T14:38:48.368620Z",
"updated_at": "2022-09-04T14:38:48.368656Z",
"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": "2022-09-04T14:37:17.956518Z",
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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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"elements": [
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{
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"created_at": "2022-09-04T14:36:30.850409Z",
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"structure_string": "Mg4 H2 O5\n1.0\n1.519999 -2.632716 -0.000000\n1.519999 2.632716 -0.000000\n0.000000 0.000000 12.055698\nMg H O\n4 2 5\ndirect\n0.333333 0.666667 0.899229 Mg\n0.666667 0.333333 0.100771 Mg\n-0.000000 -0.000000 0.696857 Mg\n-0.000000 -0.000000 0.303143 Mg\n0.666667 0.333333 0.472461 H\n0.333333 0.666667 0.527539 H\n0.333333 0.666667 0.201733 O\n0.666667 0.333333 0.798267 O\n0.333333 0.666667 0.608205 O\n0.666667 0.333333 0.391796 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Mg4 H2 O5",
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{
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"created_at": "2022-09-04T14:37:05.800578Z",
"updated_at": "2022-09-04T14:37:05.800604Z",
"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",
"nsites": 8,
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"formula_full": "Ca1 Cr1 F6",
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},
{
"id": "jvasp-92982",
"created_at": "2022-09-04T14:35:47.932450Z",
"updated_at": "2022-09-04T14:35:47.932469Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.656820 0.077098 3.213382\n1.727523 4.325226 3.213381\n0.111809 0.077098 5.656791\nCa Cr F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Cr\n0.365936 0.072356 0.784835 F\n0.072355 0.784837 0.365935 F\n0.215164 0.634065 0.927643 F\n0.927644 0.215165 0.634063 F\n0.634063 0.927646 0.215164 F\n0.784835 0.365937 0.072355 F\n",
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{
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"created_at": "2022-09-04T14:37:08.317354Z",
"updated_at": "2022-09-04T14:37:08.317386Z",
"structure_string": "Mg4 Si4 N8\n1.0\n5.025917 0.000000 0.000000\n0.000000 5.311121 0.000000\n0.000000 0.000000 6.486314\nMg Si N\n4 4 8\ndirect\n0.988861 0.584446 0.877094 Mg\n0.488861 0.915554 0.377095 Mg\n0.488861 0.415554 0.122905 Mg\n0.988861 0.084446 0.622905 Mg\n-0.000019 0.070507 0.125429 Si\n0.499981 0.929492 0.874570 Si\n0.499981 0.429492 0.625429 Si\n-0.000019 0.570507 0.374570 Si\n0.409707 0.608854 0.845043 N\n0.909707 0.391146 0.154957 N\n0.909707 0.891146 0.345043 N\n0.409707 0.108854 0.654957 N\n0.347472 0.549409 0.404056 N\n0.347472 0.049409 0.095944 N\n0.847472 0.950591 0.904055 N\n0.847472 0.450591 0.595944 N\n",
"nsites": 16,
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"formula_full": "Mg4 Si4 N8",
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{
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"created_at": "2022-09-04T14:36:41.457302Z",
"updated_at": "2022-09-04T14:36:41.457318Z",
"structure_string": "Rb2 N2\n1.0\n0.000000 -4.033696 0.000000\n-4.478411 0.000000 0.306811\n-0.404917 0.000000 -5.902655\nRb N\n2 2\ndirect\n0.750001 0.249598 0.750020 Rb\n0.250000 0.750403 0.249981 Rb\n0.750001 0.250466 0.250004 N\n0.250000 0.749534 0.749997 N\n",
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{
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"created_at": "2022-09-04T14:38:45.270391Z",
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"structure_string": "Li8 Co2 O2 F10\n1.0\n4.858402 -0.018727 -2.204937\n-2.654661 6.711814 0.000827\n0.105741 0.041283 6.483885\nLi Co O F\n8 2 2 10\ndirect\n0.725651 0.681638 0.618723 Li\n0.725651 0.181637 0.618721 Li\n0.274732 0.318877 0.383120 Li\n0.274731 0.818878 0.383121 Li\n0.670170 0.167737 0.198381 Li\n0.670171 0.667738 0.198383 Li\n0.330204 0.832782 0.803461 Li\n0.330203 0.332782 0.803459 Li\n0.000173 0.500258 0.000914 Co\n0.000172 0.000253 0.000914 Co\n0.000172 0.750256 0.000909 O\n0.000173 0.250253 0.000909 O\n0.000177 0.750265 0.500901 F\n0.000178 0.250263 0.500900 F\n0.703422 0.426059 0.122734 F\n0.703421 0.926058 0.122733 F\n0.296905 0.574448 0.879079 F\n0.296907 0.074450 0.879080 F\n0.628758 0.407405 0.678724 F\n0.628758 0.907406 0.678725 F\n0.371592 0.593104 0.323105 F\n0.371592 0.093104 0.323104 F\n",
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