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{
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"structure_string": "Mg4 Ti2 Sb2 O12\n1.0\n0.000000 5.240597 -0.004917\n7.744675 0.000000 0.000000\n0.000000 -0.128570 -5.392259\nMg Ti Sb O\n4 2 2 12\ndirect\n0.491179 0.750000 0.440024 Mg\n0.508821 0.250000 0.559976 Mg\n0.993788 0.750000 0.962771 Mg\n0.006212 0.250000 0.037230 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.339845 0.570407 0.683484 O\n0.628650 0.750000 0.075342 O\n0.660156 0.070407 0.316517 O\n0.134238 0.250000 0.418033 O\n0.185017 0.928696 0.172060 O\n0.814984 0.071303 0.827941 O\n0.185017 0.571303 0.172060 O\n0.339845 0.929592 0.683484 O\n0.865762 0.750000 0.581967 O\n0.660156 0.429592 0.316517 O\n0.814984 0.428697 0.827941 O\n0.371350 0.250000 0.924659 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:28.035431Z",
"structure_string": "Zn2 H4 S2 O10\n1.0\n3.028988 3.870270 -1.596220\n-3.028988 3.870270 1.596220\n0.068843 0.000000 7.578463\nZn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.423663 0.154180 0.794690 H\n0.154179 0.423664 0.705309 H\n0.576336 0.845821 0.205309 H\n0.845820 0.576337 0.294691 H\n0.841608 0.841608 0.750000 S\n0.158392 0.158392 0.250000 S\n0.381212 0.161878 0.161394 O\n0.161878 0.381212 0.338606 O\n0.618787 0.838123 0.838606 O\n0.838122 0.618788 0.661394 O\n0.117931 0.781151 0.905101 O\n0.882069 0.218850 0.094899 O\n0.781150 0.117932 0.594899 O\n0.363335 0.363335 0.750000 O\n0.218849 0.882069 0.405101 O\n0.636665 0.636665 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:37:28.036817Z",
"updated_at": "2022-09-04T14:37:28.036847Z",
"structure_string": "Li2 Cu2 P2 O8\n1.0\n5.252208 0.000000 -0.835176\n-2.626103 4.538614 0.417588\n-1.215482 -0.000000 7.696592\nLi Cu P O\n2 2 2 8\ndirect\n-0.013981 0.181915 0.970403 Li\n0.804104 0.818084 0.470403 Li\n0.301352 0.889137 0.326752 Cu\n0.412214 0.110862 0.826752 Cu\n0.326222 0.642448 0.696754 P\n0.683775 0.357551 0.196754 P\n0.104598 0.770078 0.661899 O\n0.405337 0.643046 0.521249 O\n0.192105 0.328232 0.774920 O\n0.603072 -0.132913 0.839424 O\n0.334519 0.229921 0.161899 O\n0.762291 0.356953 0.021248 O\n0.863873 0.671767 0.274920 O\n0.735985 0.132913 0.339425 O\n",
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{
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"created_at": "2022-09-04T14:37:28.044373Z",
"updated_at": "2022-09-04T14:37:28.044391Z",
"structure_string": "Y4 C2 N4 O4\n1.0\n1.856669 -3.215845 -0.000000\n1.856669 3.215845 -0.000000\n-0.000000 -0.000000 16.456862\nY C N O\n4 2 4 4\ndirect\n0.333334 0.666667 0.411193 Y\n0.666667 0.333334 0.911193 Y\n0.333334 0.666667 0.088807 Y\n0.666667 0.333334 0.588807 Y\n0.000000 0.000000 0.250000 C\n0.000000 0.000000 0.750000 C\n0.000000 0.000000 0.675032 N\n0.000000 0.000000 0.175032 N\n0.000000 0.000000 0.824968 N\n0.000000 0.000000 0.324968 N\n0.333334 0.666667 0.948403 O\n0.666667 0.333334 0.051597 O\n0.666667 0.333334 0.448403 O\n0.333334 0.666667 0.551597 O\n",
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"formula_full": "Y4 C2 N4 O4",
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{
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"created_at": "2022-09-04T14:37:07.375627Z",
"updated_at": "2022-09-04T14:37:07.375647Z",
"structure_string": "Ba3 Mg1 Ta2 O9\n1.0\n2.910539 -5.041201 0.000000\n2.910539 5.041201 -0.000000\n-0.000000 0.000000 7.150928\nBa Mg Ta O\n3 1 2 9\ndirect\n0.333333 0.666667 0.663819 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.336181 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.176988 Ta\n0.666667 0.333333 0.823012 Ta\n0.828492 0.171508 0.674674 O\n0.828493 0.656985 0.674674 O\n0.343015 0.171508 0.674674 O\n0.656985 0.828493 0.325326 O\n0.171508 0.343015 0.325326 O\n0.171508 0.828492 0.325326 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "jvasp-12002",
"created_at": "2022-09-04T14:37:28.693442Z",
"updated_at": "2022-09-04T14:37:28.693471Z",
"structure_string": "Cu4 H4 O4 F4\n1.0\n5.086967 -0.058402 0.000000\n-2.150612 4.919429 0.000000\n0.000000 0.000000 6.411602\nCu H O F\n4 4 4 4\ndirect\n0.989656 0.758709 0.379423 Cu\n0.010345 0.741291 0.879423 Cu\n0.010345 0.241291 0.620576 Cu\n0.989656 0.258709 0.120576 Cu\n0.391363 0.752675 0.136267 H\n0.608638 0.747325 0.636267 H\n0.608638 0.247325 0.863733 H\n0.391363 0.252675 0.363733 H\n0.172618 0.164658 0.360808 O\n0.827383 0.335342 0.860808 O\n0.827383 0.835342 0.639191 O\n0.172618 0.664658 0.139192 O\n0.721203 0.369017 0.388464 F\n0.278797 0.130983 0.888464 F\n0.278798 0.630983 0.611535 F\n0.721204 0.869017 0.111535 F\n",
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{
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"created_at": "2022-09-04T14:37:28.051061Z",
"updated_at": "2022-09-04T14:37:28.051092Z",
"structure_string": "Sm6 Si4 S16 Br2\n1.0\n7.606073 -0.000000 -0.000000\n-3.803036 7.735130 -1.193820\n-0.000000 -0.095783 10.854781\nSm Si S Br\n6 4 16 2\ndirect\n0.075198 0.396839 0.681560 Sm\n0.373552 0.000000 0.750000 Sm\n0.626448 0.000000 0.250000 Sm\n0.924802 0.603162 0.318440 Sm\n0.321639 0.396839 0.181560 Sm\n0.678360 0.603162 0.818440 Sm\n0.621694 0.315516 0.524319 Si\n0.306179 0.684485 0.975681 Si\n0.378305 0.684485 0.475681 Si\n0.693820 0.315516 0.024319 Si\n0.600389 0.868442 0.964128 S\n0.898099 0.287003 0.141440 S\n0.399610 0.131558 0.035872 S\n0.268052 0.868442 0.464128 S\n0.388902 0.287003 0.641440 S\n0.147937 0.431622 0.413726 S\n0.451090 0.709903 0.668924 S\n0.258813 0.709903 0.168924 S\n0.716315 0.568378 0.086274 S\n0.741187 0.290097 0.831076 S\n0.283685 0.431622 0.913726 S\n0.101900 0.712998 0.858560 S\n0.852062 0.568378 0.586274 S\n0.548910 0.290097 0.331076 S\n0.731948 0.131558 0.535872 S\n0.611098 0.712998 0.358560 S\n0.986116 0.000000 0.750000 Br\n0.013884 0.000000 0.250000 Br\n",
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{
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"structure_string": "Mn2 P2 H4 O10\n1.0\n4.958484 -0.062332 -1.310580\n-0.825851 4.889623 -1.310580\n0.012123 0.014160 7.405058\nMn P H O\n2 2 4 10\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.577711 0.422288 0.750000 P\n0.422288 0.577712 0.250000 P\n0.887234 0.933090 0.297714 H\n0.933089 0.887234 0.797714 H\n0.112765 0.066910 0.702286 H\n0.066910 0.112766 0.202286 H\n0.270159 0.658143 0.404774 O\n0.658143 0.270159 0.904775 O\n0.729840 0.341856 0.595225 O\n0.340633 0.262445 0.154418 O\n0.262444 0.340633 0.654418 O\n0.659366 0.737555 0.845582 O\n0.098817 0.901183 0.750000 O\n0.901182 0.098817 0.250000 O\n0.341856 0.729841 0.095225 O\n0.737555 0.659367 0.345582 O\n",
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{
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"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:13.797263Z",
"structure_string": "Ba1 Ga1 Si1 H1\n1.0\n2.154842 -3.732295 -0.000000\n2.154842 3.732295 0.000000\n0.000000 -0.000000 5.254763\nBa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001004 Ba\n0.666667 0.333332 0.457940 Ga\n0.333332 0.666667 0.545887 Si\n0.666667 0.333332 0.121469 H\n",
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{
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"created_at": "2022-09-04T14:37:28.039823Z",
"updated_at": "2022-09-04T14:37:28.039849Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 5.680002 -0.000015\n5.729154 0.000000 0.000000\n0.000000 -0.000022 -7.937244\nLi V Si O\n2 4 4 16\ndirect\n0.685738 0.500000 0.249998 Li\n0.314262 0.500000 0.750000 Li\n0.000000 0.273491 0.000000 V\n0.000000 0.726507 0.500000 V\n0.721385 0.000000 0.249999 V\n0.278615 0.000000 0.749999 V\n0.238859 0.755702 0.121136 Si\n0.238859 0.244296 0.378865 Si\n0.761141 0.244296 0.621134 Si\n0.761141 0.755702 0.878863 Si\n0.485166 0.233172 0.272271 O\n0.228843 0.008222 0.505217 O\n0.228844 0.991776 0.994783 O\n0.230174 0.513557 0.010281 O\n0.230174 0.486441 0.489720 O\n0.485165 0.766828 0.227729 O\n0.514835 0.766828 0.772270 O\n0.771157 0.008222 0.494782 O\n0.769826 0.513557 0.989718 O\n0.769826 0.486441 0.510279 O\n0.771156 0.991776 0.005216 O\n0.003780 0.237382 0.248179 O\n0.996221 0.762617 0.748179 O\n0.996220 0.237382 0.751819 O\n0.514834 0.233172 0.727728 O\n0.003779 0.762617 0.251820 O\n",
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]
}