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{
"id": "jvasp-110168",
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{
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{
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{
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"structure_string": "Ca1 Mn2 F10\n1.0\n5.053650 0.056367 -1.984187\n-2.035547 4.990701 -0.654987\n-0.269807 -0.056165 7.455273\nCa Mn F\n1 2 10\ndirect\n0.288789 0.538789 0.749999 Ca\n-0.000338 0.008406 0.007797 Mn\n0.500608 0.991865 0.492202 Mn\n0.331021 0.081022 0.250000 F\n0.669566 0.919567 0.749999 F\n0.549110 0.724334 0.374308 F\n0.850024 0.174803 0.125691 F\n0.786703 0.692707 0.022292 F\n0.170413 0.764411 0.477707 F\n0.186182 0.316504 0.965277 F\n0.851226 0.220905 0.534721 F\n0.150369 0.836251 0.876102 F\n0.460148 0.274266 0.623896 F\n",
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{
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"structure_string": "As8 Cl12 O4 F20\n1.0\n0.000000 5.830150 -0.060938\n18.399294 0.000000 0.000000\n0.000000 -2.287563 -7.460645\nAs Cl O F\n8 12 4 20\ndirect\n0.560072 0.620780 0.169722 As\n0.145168 0.611142 0.797159 As\n0.560072 0.879219 0.669722 As\n0.439929 0.379220 0.830279 As\n0.854833 0.388858 0.202842 As\n0.439929 0.120780 0.330279 As\n0.854833 0.111142 0.702842 As\n0.145168 0.888858 0.297158 As\n0.670896 0.134782 0.893675 Cl\n0.329105 0.634782 0.606326 Cl\n0.882546 0.531952 0.694270 Cl\n0.882546 0.968047 0.194269 Cl\n0.028244 0.207599 0.663986 Cl\n0.117455 0.031952 0.805731 Cl\n0.028244 0.292401 0.163986 Cl\n0.971756 0.792401 0.336015 Cl\n0.329105 0.865218 0.106326 Cl\n0.971757 0.707599 0.836015 Cl\n0.670896 0.365218 0.393675 Cl\n0.117455 0.468047 0.305731 Cl\n0.673487 0.072076 0.513995 O\n0.673487 0.427924 0.013994 O\n0.326513 0.927924 0.486006 O\n0.326513 0.572076 -0.013994 O\n0.431292 0.039293 0.207784 F\n0.326293 0.844985 0.749817 F\n0.214352 0.412197 0.919680 F\n0.225950 0.339686 0.646848 F\n0.214352 0.087803 0.419680 F\n0.462060 0.300247 0.965323 F\n0.774051 0.660314 0.353153 F\n0.774051 0.839686 0.853153 F\n0.568709 0.960707 0.792217 F\n0.462059 0.199753 0.465323 F\n0.326293 0.655015 0.249817 F\n0.537941 0.800247 0.534678 F\n0.431293 0.460707 0.707784 F\n0.568708 0.539293 0.292217 F\n0.785649 0.912197 0.580321 F\n0.673708 0.155015 0.250184 F\n0.537941 0.699753 0.034677 F\n0.673708 0.344985 0.750184 F\n0.785649 0.587803 0.080321 F\n0.225949 0.160314 0.146848 F\n",
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{
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"created_at": "2022-09-04T14:35:51.020554Z",
"updated_at": "2022-09-04T14:35:51.020581Z",
"structure_string": "Mg1 Be2 N2\n1.0\n1.477014 -2.558264 0.000000\n1.477014 2.558264 0.000000\n0.000000 0.000000 5.088482\nMg Be N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666665 0.333332 0.371569 Be\n0.333332 0.666665 0.628430 Be\n0.666665 0.333332 0.722605 N\n0.333332 0.666665 0.277395 N\n",
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{
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"created_at": "2022-09-04T14:38:00.014512Z",
"updated_at": "2022-09-04T14:38:00.014531Z",
"structure_string": "Li4 V4 F20\n1.0\n6.004936 0.000000 0.000000\n0.000000 6.335397 0.000000\n0.000000 0.000000 8.787089\nLi V F\n4 4 20\ndirect\n0.500158 0.756360 0.134308 Li\n0.000157 0.256359 0.365692 Li\n0.999843 0.756360 0.634308 Li\n0.499843 0.256359 0.865692 Li\n0.078507 0.006225 0.000009 V\n0.578507 0.506225 0.499991 V\n0.421494 0.006225 0.500009 V\n0.921494 0.506225 0.999991 V\n0.679750 0.198301 0.473674 F\n0.679740 0.814149 0.526500 F\n0.540817 0.463826 0.705531 F\n0.179740 0.314149 0.973500 F\n0.958966 0.548710 0.794441 F\n0.040816 0.963826 0.794469 F\n0.117917 0.006232 0.500003 F\n0.458965 0.048710 0.705559 F\n0.882083 0.506233 0.499997 F\n0.541035 0.548710 0.294441 F\n0.320261 0.314149 0.473500 F\n0.459184 0.963826 0.294469 F\n0.179749 0.698301 0.026326 F\n0.041035 0.048710 0.205559 F\n0.959184 0.463826 0.205531 F\n0.820261 0.814149 0.026500 F\n0.820251 0.198301 -0.026326 F\n0.382083 0.006232 0.000003 F\n0.320251 0.698301 0.526326 F\n0.617917 0.506233 0.999997 F\n",
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{
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"structure_string": "Sb4 Cl12 F8\n1.0\n6.528304 -0.000000 2.624140\n3.264153 9.094344 1.312071\n-0.127680 0.000000 9.750231\nSb Cl F\n4 12 8\ndirect\n0.212368 0.820961 0.726824 Sb\n0.939192 0.273176 0.820961 Sb\n0.760153 0.179039 0.273176 Sb\n0.033331 0.726824 0.179039 Sb\n0.675317 0.100043 0.515622 Cl\n0.503089 0.846122 0.769137 Cl\n0.118348 0.153878 0.230863 Cl\n0.272226 0.230863 0.846122 Cl\n0.775359 0.515622 0.899957 Cl\n0.190940 0.484378 0.100043 Cl\n0.346825 0.567216 0.695113 Cl\n0.914041 0.695113 0.432784 Cl\n0.349211 0.769136 0.153878 Cl\n0.609155 0.432783 0.304887 Cl\n0.041939 0.304887 0.567216 Cl\n0.290981 0.899957 0.484378 Cl\n0.673574 0.250258 0.836759 F\n0.886492 0.956880 0.203726 F\n0.760592 0.749741 0.163241 F\n0.510334 0.163241 0.250259 F\n0.923832 0.836759 0.749742 F\n0.090218 0.796274 0.956881 F\n0.843372 0.203726 0.043120 F\n0.047099 0.043119 0.796274 F\n",
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"structure_string": "K8 As8\n1.0\n6.479948 0.000000 0.000000\n0.000000 6.649282 0.000000\n0.000000 0.000000 11.573458\nK As\n8 8\ndirect\n0.329841 0.343565 0.714457 K\n0.829842 0.156435 0.285543 K\n0.670159 0.843565 0.785543 K\n0.170159 0.656434 0.214457 K\n0.596986 0.606012 0.417631 K\n0.096985 0.893988 0.582369 K\n0.403015 0.106012 0.082369 K\n0.903015 0.393988 0.917631 K\n0.093154 0.439897 0.467391 As\n0.593155 0.060103 0.532609 As\n0.906846 0.939897 0.032609 As\n0.406846 0.560103 0.967391 As\n0.828509 0.324687 0.616137 As\n0.328509 0.175313 0.383863 As\n0.171491 0.824687 0.883863 As\n0.671492 0.675313 0.116137 As\n",
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{
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"structure_string": "Li6 Sb2\n1.0\n2.330420 -4.036407 0.000000\n2.330420 4.036407 -0.000000\n-0.000000 0.000000 8.286676\nLi Sb\n6 2\ndirect\n0.333333 0.666667 0.087394 Li\n0.666667 0.333333 0.587394 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.333333 0.666667 0.412606 Li\n0.666667 0.333333 0.912606 Li\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n",
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{
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{
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}