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{
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"structure_string": "Ca6 Y4 N8\n1.0\n6.586104 0.003602 0.000459\n-5.462498 6.485950 -0.000000\n0.001846 0.001555 7.096416\nCa Y N\n6 4 8\ndirect\n0.265759 0.028403 0.951910 Ca\n0.734240 0.762644 0.548091 Ca\n0.734240 0.971596 0.048091 Ca\n0.265758 0.237355 0.451910 Ca\n-0.000000 0.649949 0.750000 Ca\n-0.000000 0.350050 0.250000 Ca\n0.715289 0.497125 0.111871 Y\n0.284710 0.781835 0.388130 Y\n0.715289 0.218164 0.611871 Y\n0.284710 0.502874 0.888130 Y\n0.235359 0.722226 0.066005 N\n0.256376 0.978700 0.595557 N\n0.743623 0.722323 0.904444 N\n0.743623 0.021299 0.404443 N\n0.256376 0.277676 0.095557 N\n0.764640 0.277773 0.933996 N\n0.235359 0.513134 0.566005 N\n0.764640 0.486865 0.433996 N\n",
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{
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"structure_string": "S6 N6 Cl6\n1.0\n0.000000 5.489216 0.040502\n11.129853 0.000000 0.000000\n0.000000 -0.942670 -5.957864\nS N Cl\n6 6 6\ndirect\n0.948344 0.878562 0.779590 S\n0.051656 0.378562 0.220410 S\n0.051656 0.121438 0.220410 S\n0.948344 0.621438 0.779590 S\n0.121633 0.750000 0.183449 S\n0.878367 0.250000 0.816551 S\n0.116180 0.250000 0.333022 N\n0.883820 0.750000 0.666978 N\n0.024585 0.630339 0.046672 N\n0.975416 0.130339 0.953327 N\n0.975416 0.369660 0.953327 N\n0.024585 0.869660 0.046672 N\n0.303025 0.925968 0.660497 Cl\n0.696976 0.425968 0.339502 Cl\n0.696976 0.074032 0.339502 Cl\n0.303025 0.574032 0.660497 Cl\n0.509586 0.750000 0.170070 Cl\n0.490415 0.250000 0.829930 Cl\n",
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{
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"created_at": "2022-09-04T14:38:27.859375Z",
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"structure_string": "Ba2 Cu8 O8\n1.0\n6.611615 0.000000 -0.000000\n0.000000 6.611615 0.000000\n0.000000 0.000000 6.338521\nBa Cu O\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.754497 Cu\n0.500000 0.000000 0.245503 Cu\n0.500000 0.000000 0.754497 Cu\n0.000000 0.500000 0.245503 Cu\n0.750001 0.750001 0.500000 Cu\n0.250000 0.750001 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.250000 0.250000 0.500000 Cu\n0.193206 0.306794 0.228517 O\n0.806794 0.306794 0.771483 O\n0.693207 0.193206 0.228517 O\n0.193206 0.693207 0.771483 O\n0.306794 0.806794 0.228517 O\n0.306794 0.193206 0.771483 O\n0.806794 0.693207 0.228517 O\n0.693207 0.806794 0.771483 O\n",
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{
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"created_at": "2022-09-04T14:38:27.656097Z",
"updated_at": "2022-09-04T14:38:27.656108Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.083890 -0.018551 1.728808\n1.257019 4.926073 1.728808\n0.006822 0.005280 7.110268\nMn O F\n6 10 2\ndirect\n0.326139 0.326139 0.155344 Mn\n0.673402 0.673402 0.332531 Mn\n0.345105 0.345105 0.681273 Mn\n0.669280 0.669280 0.837476 Mn\n0.995888 0.995888 0.491738 Mn\n0.994016 0.994016 0.009649 Mn\n0.302519 0.692643 -0.000599 O\n0.692643 0.302519 -0.000599 O\n0.361278 0.971019 0.332674 O\n0.032045 0.638007 0.666045 O\n0.570160 0.570160 0.627599 O\n0.767524 0.767523 0.038905 O\n0.897186 0.897185 0.296622 O\n0.638007 0.032045 0.666045 O\n0.971019 0.361278 0.332674 O\n0.227503 0.227503 0.965862 O\n0.103877 0.103877 0.700501 F\n0.432409 0.432409 0.366267 F\n",
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{
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"created_at": "2022-09-04T14:38:09.390365Z",
"updated_at": "2022-09-04T14:38:09.390378Z",
"structure_string": "Li4 V2 Co2 O10\n1.0\n6.541771 0.000000 0.000000\n0.000000 6.541771 0.000000\n0.000000 -0.000000 4.555229\nLi V Co O\n4 2 2 10\ndirect\n0.250000 0.750000 0.000000 Li\n0.750000 0.750000 0.000000 Li\n0.750000 0.250000 0.000000 Li\n0.250000 0.250000 0.000000 Li\n0.500000 0.000000 0.620805 V\n0.000000 0.500000 0.379195 V\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.724977 0.500000 0.256713 O\n0.275023 0.500000 0.256713 O\n0.500000 0.275023 0.743287 O\n0.000000 0.224977 0.256713 O\n0.000000 0.775022 0.256713 O\n0.775022 0.000000 0.743287 O\n0.500000 0.000000 0.254918 O\n0.000000 0.500000 0.745082 O\n0.224977 0.000000 0.743287 O\n0.500000 0.724977 0.743287 O\n",
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{
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"updated_at": "2022-09-04T14:38:17.851653Z",
"structure_string": "Mn2 H4 Se2 O10\n1.0\n3.154400 4.132691 -1.635269\n-3.154400 4.132691 1.635269\n0.068154 0.000000 7.882406\nMn H Se O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.417713 0.160290 0.794193 H\n0.160289 0.417714 0.705808 H\n0.582286 0.839710 0.205807 H\n0.839710 0.582286 0.294193 H\n0.838070 0.838071 0.750000 Se\n0.161929 0.161929 0.250000 Se\n0.405155 0.159928 0.157535 O\n0.159928 0.405155 0.342465 O\n0.594844 0.840073 0.842465 O\n0.840072 0.594845 0.657536 O\n0.132801 0.768568 0.922049 O\n0.867198 0.231432 0.077952 O\n0.768567 0.132802 0.577952 O\n0.359639 0.359640 0.750000 O\n0.231432 0.867199 0.422049 O\n0.640360 0.640360 0.250000 O\n",
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"structure_string": "Ba4 Zn2 Ag4 Se4 O4\n1.0\n0.000000 6.108202 0.019273\n6.108661 0.000000 0.000000\n0.000000 -3.022982 -10.060621\nBa Zn Ag Se O\n4 2 4 4 4\ndirect\n0.911723 0.500002 0.823446 Ba\n0.411723 -0.000002 0.823445 Ba\n0.588277 0.000002 0.176555 Ba\n0.088278 0.499998 0.176555 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.497019 0.250008 0.500006 Ag\n0.002982 0.750007 0.499994 Ag\n0.502981 0.749992 0.499994 Ag\n0.997019 0.249992 0.500006 Ag\n0.662530 0.499996 0.325046 Se\n0.162530 0.000004 0.325046 Se\n0.837470 -0.000004 0.674954 Se\n0.337470 0.500004 0.674954 Se\n0.717055 0.283032 0.000001 O\n0.217056 0.216968 0.000001 O\n0.782944 0.783032 -0.000000 O\n0.282944 0.716968 -0.000001 O\n",
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"structure_string": "V4 Fe2 O12\n1.0\n6.707612 -0.026745 -0.081926\n-0.714288 6.669526 0.081926\n-1.443673 1.302527 5.432910\nV Fe O\n4 2 12\ndirect\n0.203249 0.609420 0.760719 V\n0.390580 0.796751 0.260719 V\n0.609420 0.203249 0.739281 V\n0.796751 0.390580 0.239281 V\n0.084274 0.084274 0.750000 Fe\n0.915726 0.915727 0.250000 Fe\n0.807142 0.032077 0.859141 O\n0.622790 0.344019 0.436187 O\n0.627999 0.914598 0.270373 O\n0.655981 0.377210 0.936187 O\n0.344019 0.622790 0.063813 O\n0.192858 0.967923 0.140859 O\n0.377210 0.655981 0.563813 O\n0.914597 0.628000 0.229627 O\n0.085403 0.372001 0.770373 O\n0.032078 0.807143 0.640859 O\n0.372000 0.085403 0.729627 O\n0.967922 0.192857 0.359141 O\n",
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{
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"created_at": "2022-09-04T14:38:17.080451Z",
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{
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}