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{
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{
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{
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{
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{
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"structure_string": "Ca1 Pr3 Co4 O12\n1.0\n7.680219 0.000000 0.000000\n0.000000 5.443906 0.000000\n0.000000 0.015896 5.461153\nCa Pr Co O\n1 3 4 12\ndirect\n0.500000 0.491810 0.459454 Ca\n0.500000 0.008568 0.960930 Pr\n0.000000 0.508601 0.538867 Pr\n0.000000 0.993351 0.039389 Pr\n0.253680 0.000686 0.499667 Co\n0.746013 0.500082 0.000993 Co\n0.746320 0.000686 0.499667 Co\n0.253987 0.500082 0.000993 Co\n0.500000 0.570735 0.016904 O\n0.500000 0.919233 0.508880 O\n0.000000 0.434658 0.993066 O\n0.000000 0.070370 0.498608 O\n0.289106 0.282519 0.715292 O\n0.718036 0.210940 0.213404 O\n0.790033 0.723609 0.280308 O\n0.213013 0.783502 0.782288 O\n0.209967 0.723609 0.280308 O\n0.786987 0.783502 0.782288 O\n0.710894 0.282519 0.715292 O\n0.281964 0.210940 0.213404 O\n",
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{
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{
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{
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{
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"structure_string": "Na3 Li3 N2\n1.0\n4.288391 0.000000 0.000000\n0.000000 3.868504 0.000000\n0.000000 0.065759 7.304810\nNa Li N\n3 3 2\ndirect\n0.500000 0.351628 0.527483 Na\n0.000000 0.634424 0.357739 Na\n0.500000 0.611550 0.861622 Na\n0.000000 0.992924 0.718265 Li\n0.000000 0.437720 0.018268 Li\n0.500000 0.013494 0.175576 Li\n0.000000 0.490314 0.716251 N\n0.500000 0.509946 0.185796 N\n",
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],
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"formula_full": "Na3 Li3 N2",
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{
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"formula_full": "Sm12 Ni28 P20",
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"energy": -383.93626312,
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}
]
}