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{
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{
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{
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"created_at": "2022-09-04T14:44:52.923478Z",
"structure_string": "Ba2 Cu4 Te4 Cl4 O12\n1.0\n7.575408 0.000000 0.000000\n0.000000 7.527838 0.000000\n0.000000 1.073105 8.308092\nBa Cu Te Cl O\n2 4 4 4 12\ndirect\n0.658818 0.136158 0.932519 Ba\n0.158818 0.863842 0.067481 Ba\n0.156678 0.359502 0.914884 Cu\n0.685552 0.310911 0.403356 Cu\n0.185552 0.689089 0.596644 Cu\n0.656678 0.640498 0.085116 Cu\n0.028824 0.131330 0.607362 Te\n0.810372 0.657915 0.766062 Te\n0.310372 0.342085 0.233938 Te\n0.528824 0.868670 0.392638 Te\n0.385758 0.453600 0.616719 Cl\n0.919452 0.114563 0.237365 Cl\n0.419452 0.885437 0.762635 Cl\n0.885758 0.546400 0.383281 Cl\n0.223962 0.522175 0.067615 O\n0.783807 0.186040 0.602982 O\n0.001742 0.874946 0.632277 O\n0.045169 0.550858 0.766863 O\n0.723962 0.477825 0.932385 O\n0.501742 0.125054 0.367723 O\n0.545169 0.449142 0.233137 O\n0.821887 0.800576 0.942277 O\n0.321887 0.199424 0.057723 O\n0.546779 0.846040 0.168083 O\n0.046779 0.153960 0.831917 O\n0.283807 0.813960 0.397018 O\n",
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{
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"created_at": "2022-09-04T14:44:52.935455Z",
"structure_string": "Ca1 Mg30 Zn1 O32\n1.0\n8.563143 0.000000 0.000000\n0.000000 8.563143 0.000000\n0.000000 0.000000 8.564972\nCa Mg Zn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253011 0.253011 0.000000 Mg\n0.253011 0.746989 0.000000 Mg\n0.746989 0.253011 0.000000 Mg\n0.746989 0.746989 0.000000 Mg\n0.250297 0.250297 0.500000 Mg\n0.250297 0.749703 0.500000 Mg\n0.749703 0.250297 0.500000 Mg\n0.749703 0.749703 0.500000 Mg\n0.000000 0.253069 0.252894 Mg\n0.000000 0.746931 0.252894 Mg\n0.500000 0.250237 0.250231 Mg\n0.500000 0.749763 0.250231 Mg\n0.000000 0.253069 0.747106 Mg\n0.000000 0.746931 0.747106 Mg\n0.500000 0.250237 0.749769 Mg\n0.500000 0.749763 0.749769 Mg\n0.253069 0.000000 0.252894 Mg\n0.250237 0.500000 0.250231 Mg\n0.746931 0.000000 0.252894 Mg\n0.749763 0.500000 0.250231 Mg\n0.253069 0.000000 0.747106 Mg\n0.250237 0.500000 0.749769 Mg\n0.746931 0.000000 0.747106 Mg\n0.749763 0.500000 0.749769 Mg\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.262449 O\n0.000000 0.500000 0.252395 O\n0.500000 0.000000 0.252395 O\n0.500000 0.500000 0.253949 O\n0.000000 0.000000 0.737551 O\n0.000000 0.500000 0.747605 O\n0.500000 0.000000 0.747605 O\n0.500000 0.500000 0.746051 O\n0.250062 0.250062 0.249575 O\n0.250062 0.749938 0.249575 O\n0.749938 0.250062 0.249575 O\n0.749938 0.749938 0.249575 O\n0.250062 0.250062 0.750425 O\n0.250062 0.749938 0.750425 O\n0.749938 0.250062 0.750425 O\n0.749938 0.749938 0.750425 O\n0.000000 0.262277 0.000000 O\n0.000000 0.737723 0.000000 O\n0.500000 0.248874 0.000000 O\n0.500000 0.751126 0.000000 O\n0.000000 0.252172 0.500000 O\n0.000000 0.747828 0.500000 O\n0.500000 0.250165 0.500000 O\n0.500000 0.749835 0.500000 O\n0.262277 0.000000 0.000000 O\n0.248874 0.500000 0.000000 O\n0.737723 0.000000 0.000000 O\n0.751126 0.500000 0.000000 O\n0.252172 0.000000 0.500000 O\n0.250165 0.500000 0.500000 O\n0.747828 0.000000 0.500000 O\n0.749835 0.500000 0.500000 O\n",
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{
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"structure_string": "Sn2 Se2\n1.0\n2.144740 -6.006044 0.000000\n2.144740 6.006044 0.000000\n0.000000 0.000000 4.300997\nSn Se\n2 2\ndirect\n0.127194 0.872806 0.750000 Sn\n0.872806 0.127194 0.250000 Sn\n0.355413 0.644587 0.750000 Se\n0.644587 0.355413 0.250000 Se\n",
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{
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{
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"structure_string": "Na8 Co4 O12\n1.0\n2.643870 4.571938 -0.015547\n-2.643969 4.571995 0.015352\n1.645623 -0.000246 10.768089\nNa Co O\n8 4 12\ndirect\n0.251268 0.750854 0.251875 Na\n0.750856 0.251266 0.748125 Na\n0.000099 0.000104 0.000003 Na\n0.499925 0.499926 0.499999 Na\n0.906560 0.408660 0.251523 Na\n0.408657 0.906563 0.748474 Na\n0.592944 0.090516 0.251108 Na\n0.090514 0.592945 0.748895 Na\n0.170638 0.170642 0.499997 Co\n0.829400 0.829400 0.499998 Co\n0.668537 0.668570 0.000000 Co\n0.332117 0.332092 0.999998 Co\n0.912624 0.087614 0.402020 O\n0.419278 0.595048 0.899365 O\n0.595014 0.419241 0.100635 O\n0.087618 0.912623 0.597983 O\n0.947103 0.661793 0.100756 O\n0.461044 0.153361 0.598081 O\n0.356925 0.017453 0.099855 O\n0.847395 0.538854 0.597140 O\n0.538853 0.847393 0.402859 O\n0.017494 0.356909 0.900151 O\n0.153360 0.461041 0.401920 O\n0.661779 0.947133 0.899240 O\n",
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{
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{
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}