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{
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{
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"spacegroup": 1
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{
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"structure_string": "Ba2 Ca4 Cu6 O10\n1.0\n3.947363 0.000000 0.000000\n0.000000 3.947363 0.000000\n0.000000 0.000000 20.915741\nBa Ca Cu O\n2 4 6 10\ndirect\n0.500000 0.500000 0.387701 Ba\n0.500000 0.500000 0.612299 Ba\n0.500000 0.500000 0.074708 Ca\n0.500000 0.500000 0.925292 Ca\n0.500000 0.500000 0.223863 Ca\n0.500000 0.500000 0.776137 Ca\n0.000000 0.000000 0.301267 Cu\n0.000000 0.000000 0.698733 Cu\n0.000000 0.000000 0.151485 Cu\n0.000000 0.000000 0.848515 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.306141 O\n0.000000 0.500000 0.693859 O\n0.500000 0.000000 0.306141 O\n0.500000 0.000000 0.693859 O\n0.000000 0.500000 0.152953 O\n0.000000 0.500000 0.847047 O\n0.500000 0.000000 0.152953 O\n0.500000 0.000000 0.847047 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1352057",
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"structure_string": "Ba4 Ca8 Co8 N16\n1.0\n8.059678 0.000000 0.000000\n0.000000 9.110577 0.000000\n0.000000 0.000000 11.725818\nBa Ca Co N\n4 8 8 16\ndirect\n0.281731 0.271226 0.392697 Ba\n0.781731 0.771226 0.107303 Ba\n0.218269 0.271226 0.892697 Ba\n0.718269 0.771226 0.607303 Ba\n0.368514 0.868193 0.337935 Ca\n0.131486 0.868193 0.837935 Ca\n0.854176 0.092688 0.355170 Ca\n0.354176 0.592688 0.144830 Ca\n0.145824 0.592688 0.644830 Ca\n0.645824 0.092688 0.855170 Ca\n0.631486 0.368193 0.662065 Ca\n0.868514 0.368193 0.162065 Ca\n0.425938 0.568813 0.485661 Co\n0.925938 0.068813 0.014339 Co\n0.425904 0.896922 0.007172 Co\n0.574096 0.396922 0.992828 Co\n0.574062 0.068813 0.514339 Co\n0.925904 0.396922 0.492828 Co\n0.074096 0.896922 0.507172 Co\n0.074062 0.568813 0.985661 Co\n0.548388 0.073942 0.374437 N\n0.553123 0.336778 0.860890 N\n0.615368 0.098460 0.649554 N\n0.946877 0.336778 0.360890 N\n0.627408 0.496163 0.104508 N\n0.372592 0.996163 0.895492 N\n0.048388 0.573942 0.125563 N\n0.053123 0.836778 0.639110 N\n0.451612 0.573942 0.625563 N\n0.446877 0.836778 0.139110 N\n0.951612 0.073942 0.874437 N\n0.127408 0.996163 0.395492 N\n0.115368 0.598460 0.850446 N\n0.384632 0.598460 0.350446 N\n0.872592 0.496163 0.604508 N\n0.884632 0.098460 0.149554 N\n",
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{
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{
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{
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{
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{
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