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{
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{
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"structure_string": "Ba1 Zr1 P2 O8\n1.0\n2.654413 -4.597578 -0.000000\n2.654413 4.597578 0.000000\n-0.000000 -0.000000 7.522330\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zr\n0.333332 0.666666 0.252308 P\n0.666666 0.333332 0.747692 P\n0.824277 0.175722 0.673322 O\n0.175722 0.351444 0.326678 O\n0.175722 0.824277 0.326678 O\n0.351444 0.175722 0.673322 O\n0.824276 0.648555 0.673322 O\n0.666666 0.333332 0.949024 O\n0.333332 0.666666 0.050976 O\n0.648555 0.824276 0.326678 O\n",
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{
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"updated_at": "2022-09-04T14:37:10.807177Z",
"structure_string": "Sr2 Cu4 Ge2 Se8\n1.0\n6.307791 0.025871 -0.000000\n-2.869176 5.617538 0.000000\n0.000000 -0.000000 10.890757\nSr Cu Ge Se\n2 4 2 8\ndirect\n0.989044 0.989045 0.500000 Sr\n0.989044 0.989045 0.000000 Sr\n0.370795 0.804843 0.370077 Cu\n0.804842 0.370796 0.629923 Cu\n0.804842 0.370796 0.870077 Cu\n0.370795 0.804843 0.129923 Cu\n0.734726 0.438240 0.250000 Ge\n0.438240 0.734727 0.750000 Ge\n0.704464 0.807312 0.250000 Se\n0.807312 0.704464 0.750000 Se\n0.989684 0.477005 0.424395 Se\n0.477005 0.989685 0.575605 Se\n0.989684 0.477005 0.075605 Se\n0.477005 0.989685 0.924395 Se\n0.128283 0.330823 0.750000 Se\n0.330823 0.128283 0.250000 Se\n",
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{
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"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.623485 -0.047739 0.056027\n-0.099590 5.789564 0.020273\n-2.720854 -2.798727 4.048390\nLi Fe Cu O\n2 3 1 8\ndirect\n-0.000000 0.499999 -0.000000 Li\n0.500001 0.499999 0.500000 Li\n0.000000 -0.000000 0.500000 Fe\n0.500001 0.000000 0.000000 Fe\n0.500001 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.241740 0.212081 0.970344 O\n0.720856 0.210677 0.959449 O\n0.251220 0.210614 0.489734 O\n0.739738 0.215415 0.475691 O\n0.260263 0.784583 0.524309 O\n0.748781 0.789385 0.510266 O\n0.279145 0.789322 0.040551 O\n0.758261 0.787918 0.029656 O\n",
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"structure_string": "Tl1 Hg1 N3 O6\n1.0\n5.846224 -0.000000 -0.000000\n-0.000000 5.846224 -0.000000\n0.000000 -0.000000 5.846224\nTl Hg N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.711992 O\n0.000000 0.711992 0.500000 O\n0.000000 0.288007 0.500000 O\n0.500000 0.000000 0.288007 O\n0.288007 0.500000 0.000000 O\n0.711992 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:13.649284Z",
"updated_at": "2022-09-04T14:37:13.649313Z",
"structure_string": "Dy4 Be4 Ge2 O14\n1.0\n7.434175 0.000000 0.000000\n0.000000 7.434175 0.000000\n0.000000 -0.000000 4.810873\nDy Be Ge O\n4 4 2 14\ndirect\n0.658001 0.841998 0.505015 Dy\n0.158001 0.658001 0.494984 Dy\n0.841998 0.341998 0.494984 Dy\n0.341998 0.158001 0.505015 Dy\n0.364542 0.864542 0.048416 Be\n0.864542 0.635457 0.951583 Be\n0.635457 0.135457 0.048416 Be\n0.135457 0.364542 0.951583 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857630 0.642369 0.282127 O\n0.357631 0.857630 0.717872 O\n0.642369 0.142369 0.717872 O\n0.142369 0.357631 0.282127 O\n0.500000 0.000000 0.185738 O\n0.000000 0.500000 0.814262 O\n0.172002 0.918795 0.218936 O\n0.327997 0.418795 0.781063 O\n0.418795 0.672002 0.218936 O\n0.581205 0.327997 0.218936 O\n0.081205 0.172002 0.781063 O\n0.918795 0.827997 0.781063 O\n0.672002 0.581205 0.781063 O\n0.827997 0.081205 0.218936 O\n",
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"structure_string": "Cs2 Na1 Er1 F6\n1.0\n5.519359 0.000000 3.186603\n1.839786 5.203702 3.186603\n0.000000 0.000000 6.373206\nCs Na Er F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750001 0.750000 0.749999 Cs\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.500000 Er\n0.259939 0.740061 0.740061 F\n0.259939 0.740061 0.259938 F\n0.740062 0.259939 0.740061 F\n0.259939 0.259939 0.740061 F\n0.740062 0.259939 0.259938 F\n0.740062 0.740061 0.259938 F\n",
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{
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"structure_string": "Sr1 Li2 Ta2 O7\n1.0\n3.890764 -0.000000 -0.821082\n-0.173276 3.886904 -0.821082\n-0.020217 -0.021138 9.533086\nSr Li Ta O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249999 0.749999 0.500000 Li\n0.749999 0.249999 0.500000 Li\n0.615676 0.615677 0.231354 Ta\n0.384321 0.384322 0.768647 Ta\n0.499999 0.499999 0.000000 O\n0.604968 0.104969 0.209939 O\n0.104968 0.604969 0.209939 O\n0.395029 0.895029 0.790062 O\n0.895029 0.395030 0.790062 O\n0.280420 0.280420 0.560843 O\n0.719577 0.719578 0.439157 O\n",
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{
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"structure_string": "Sr6 Ni2 Ir2 O12\n1.0\n6.696320 0.028220 -0.202586\n-0.209659 6.693097 -0.202586\n0.027235 0.028220 6.699329\nSr Ni Ir O\n6 2 2 12\ndirect\n0.385941 0.114059 0.750000 Sr\n0.885941 0.250001 0.614059 Sr\n0.249999 0.614059 0.885940 Sr\n0.114058 0.750000 0.385941 Sr\n0.614057 0.885942 0.249999 Sr\n0.749999 0.385941 0.114058 Sr\n0.250000 0.249999 0.250000 Ni\n0.750000 0.750000 0.749999 Ni\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.499999 Ir\n0.093339 0.287225 0.963060 O\n0.787224 0.593340 0.463060 O\n0.536938 0.212775 0.406660 O\n0.406660 0.536940 0.212776 O\n0.212776 0.406661 0.536939 O\n0.712776 0.036940 0.906661 O\n0.906661 0.712777 0.036938 O\n0.036939 0.906662 0.712775 O\n0.463060 0.787224 0.593339 O\n0.593338 0.463060 0.787224 O\n0.963060 0.093339 0.287223 O\n0.287223 0.963061 0.093338 O\n",
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{
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"structure_string": "Li4 V3 Cr3 O12\n1.0\n5.073274 -0.004601 0.020441\n1.726125 5.636195 -0.019073\n1.645307 1.125655 7.449423\nLi V Cr O\n4 3 3 12\ndirect\n0.498896 0.834105 0.166936 Li\n0.501105 0.165895 0.833064 Li\n0.006421 0.666511 0.335744 Li\n0.993580 0.333489 0.664256 Li\n0.005966 0.829655 0.673115 V\n0.000000 0.500000 0.000000 V\n0.994035 0.170345 0.326885 V\n0.492511 0.668211 0.831923 Cr\n0.507490 0.331789 0.168077 Cr\n0.500000 -0.000000 0.500000 Cr\n0.250719 0.309488 0.403548 O\n0.264012 0.637612 0.077130 O\n0.768412 0.137379 0.577178 O\n0.762951 0.488552 0.237917 O\n0.237049 0.511448 0.762083 O\n0.747430 0.811959 0.907491 O\n0.735989 0.362389 0.922870 O\n0.749282 0.690512 0.596452 O\n0.261106 0.984346 0.736264 O\n0.738894 0.015654 0.263736 O\n0.231588 0.862621 0.422822 O\n0.252571 0.188041 0.092509 O\n",
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{
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"created_at": "2022-09-04T14:37:33.383762Z",
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"structure_string": "Tl3 Ir1 N6 O12\n1.0\n6.857030 -0.000000 3.958908\n2.285677 6.464870 3.958908\n-0.000000 -0.000000 7.917817\nTl Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Ir\n0.821224 0.821224 0.178777 N\n0.178777 0.821224 0.178776 N\n0.178776 0.178776 0.821224 N\n0.821224 0.178776 0.821224 N\n0.178777 0.821224 0.821224 N\n0.821224 0.178776 0.178777 N\n0.418371 0.000000 0.581629 O\n0.000000 0.418371 0.581629 O\n0.000000 0.000000 0.581629 O\n0.000000 0.581629 0.000000 O\n0.000000 0.581629 0.418371 O\n0.418371 0.000000 0.000000 O\n0.000000 0.418371 0.000000 O\n0.581629 0.000000 0.418372 O\n0.581629 0.418371 0.000000 O\n0.418371 0.581629 0.000000 O\n0.581629 0.000000 0.000000 O\n0.000000 0.000000 0.418371 O\n",
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}