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{
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{
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"structure_string": "Ca2 Cr4 S8\n1.0\n6.586364 0.000000 -3.457926\n-1.815455 6.331219 -3.457926\n-0.299624 -0.397615 7.430839\nCa Cr S\n2 4 8\ndirect\n0.375001 0.625000 0.750000 Ca\n0.625000 0.375000 0.249999 Ca\n0.000000 -0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.769276 0.806995 0.538552 S\n0.768443 0.230723 0.961446 S\n0.193006 0.230723 0.961447 S\n0.230724 0.193005 0.461447 S\n0.230725 0.768442 0.461447 S\n0.231558 0.769276 0.038553 S\n0.769276 0.231557 0.538552 S\n0.806995 0.769276 0.038552 S\n",
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{
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"updated_at": "2022-09-04T14:37:10.920550Z",
"structure_string": "Nb4 Hg4 O14\n1.0\n6.512620 0.000000 3.760063\n2.170873 6.140157 3.760063\n0.000000 0.000000 7.520126\nNb Hg O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Nb\n-0.000000 -0.000000 0.500000 Nb\n0.500000 -0.000000 -0.000000 Nb\n-0.000000 0.500000 -0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n0.065146 0.684854 0.065146 O\n0.684854 0.065146 0.684854 O\n0.684854 0.065146 0.065146 O\n0.625000 0.625000 0.625000 O\n0.934854 0.315146 0.315146 O\n0.315145 0.934854 0.315146 O\n0.315146 0.315146 0.934854 O\n0.934853 0.934854 0.315146 O\n0.934854 0.315146 0.934854 O\n0.065146 0.684854 0.684854 O\n0.315145 0.934854 0.934854 O\n0.375000 0.375000 0.375000 O\n0.684853 0.684854 0.065146 O\n0.065146 0.065146 0.684854 O\n",
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{
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"updated_at": "2022-09-04T14:37:11.038139Z",
"structure_string": "Tl4 Pt4 O14\n1.0\n6.305801 -0.000000 3.640656\n2.101934 5.945166 3.640656\n0.000000 -0.000000 7.281312\nTl Pt O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.499999 0.500000 0.500001 Pt\n0.499999 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.833798 0.416201 0.416202 O\n0.416201 0.416201 0.833799 O\n0.833798 0.833800 0.416202 O\n0.166200 0.583799 0.583799 O\n0.874999 0.875001 0.875001 O\n0.833798 0.416201 0.833800 O\n0.416200 0.833800 0.416202 O\n0.166200 0.583799 0.166201 O\n0.166201 0.166201 0.583799 O\n0.583798 0.583799 0.166202 O\n0.583799 0.166201 0.583799 O\n0.416200 0.833800 0.833800 O\n0.125000 0.125000 0.125000 O\n0.583799 0.166201 0.166201 O\n",
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{
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"created_at": "2022-09-04T14:37:11.045040Z",
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"structure_string": "Li2 Cu4 O8\n1.0\n5.060110 0.000000 2.921456\n1.686703 4.770718 2.921456\n-0.000000 0.000000 5.842912\nLi Cu O\n2 4 8\ndirect\n0.125001 0.125000 0.125000 Li\n0.874999 0.874999 0.875002 Li\n0.499999 0.500001 0.500001 Cu\n0.500001 -0.000000 0.500000 Cu\n0.000001 0.500001 0.500000 Cu\n0.499999 0.500001 0.000001 Cu\n0.737768 0.737769 0.286695 O\n0.737768 0.737769 0.737770 O\n0.262232 0.262231 0.713305 O\n0.262232 0.713307 0.262232 O\n0.262232 0.262231 0.262232 O\n0.713306 0.262231 0.262232 O\n0.737769 0.286693 0.737770 O\n0.286694 0.737769 0.737770 O\n",
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{
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"created_at": "2022-09-04T14:37:11.210667Z",
"updated_at": "2022-09-04T14:37:11.210687Z",
"structure_string": "V4 Zn2 O8\n1.0\n5.967440 -0.004955 -0.004514\n-2.979546 5.170890 0.006997\n-2.981497 -1.724658 4.873306\nV Zn O\n4 2 8\ndirect\n-0.000000 -0.000000 0.500000 V\n0.500000 -0.000000 0.500001 V\n0.500000 -0.000000 0.000000 V\n-0.000000 0.500000 0.500001 V\n0.749999 0.624997 0.875003 Zn\n0.250000 0.375002 0.124999 Zn\n0.480042 0.220053 0.740031 O\n0.980056 0.240036 0.720053 O\n0.519954 0.239999 0.259987 O\n0.980049 0.240031 0.260001 O\n0.480046 0.760000 0.740015 O\n0.019951 0.759968 0.740001 O\n0.519958 0.779947 0.259972 O\n0.019944 0.759963 0.279949 O\n",
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{
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"structure_string": "Mg2 Mn4 O8\n1.0\n5.190235 -0.000029 2.996626\n1.730030 4.893490 2.996664\n-0.000015 0.000035 5.993279\nMg Mn O\n2 4 8\ndirect\n0.125000 0.125012 0.124996 Mg\n0.875001 0.874987 0.875004 Mg\n0.500001 0.499999 -0.000000 Mn\n0.500000 0.500001 0.499998 Mn\n1.000000 0.500000 0.500001 Mn\n0.499999 0.000001 0.500000 Mn\n0.738939 0.738922 0.738946 O\n0.261060 0.261080 0.716810 O\n0.261060 0.716833 0.261057 O\n0.716813 0.261074 0.261057 O\n0.738940 0.283166 0.738943 O\n0.283187 0.738927 0.738942 O\n0.261059 0.261080 0.261054 O\n0.738940 0.738922 0.283189 O\n",
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"structure_string": "Mn2 In4 S8\n1.0\n6.593461 -0.000000 3.806737\n2.197820 6.216374 3.806737\n-0.000000 -0.000000 7.613472\nMn In S\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Mn\n0.875000 0.874999 0.875001 Mn\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000001 In\n0.500000 0.500000 0.500000 In\n0.745532 0.745532 0.745533 S\n0.254468 0.254467 0.736596 S\n0.254468 0.736596 0.254468 S\n0.736596 0.254467 0.254468 S\n0.745532 0.263404 0.745533 S\n0.263404 0.745532 0.745533 S\n0.254468 0.254467 0.254468 S\n0.745532 0.745532 0.263405 S\n",
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{
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"structure_string": "Li2 Mn4 O8\n1.0\n4.971963 -0.000000 2.870565\n1.657321 4.687612 2.870565\n-0.000000 -0.000000 5.741129\nLi Mn O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.874999 0.875000 0.874999 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.262316 0.262317 0.713049 O\n0.737683 0.737683 0.737683 O\n0.737683 0.737683 0.286950 O\n0.262316 0.713049 0.262316 O\n0.262316 0.262317 0.262316 O\n0.286951 0.737683 0.737683 O\n0.737683 0.286951 0.737683 O\n0.713049 0.262317 0.262316 O\n",
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]
}