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"structure_string": "K1 Na1 B2 H8\n1.0\n4.309898 -0.002940 6.462356\n1.955092 3.840943 6.462356\n-0.004800 -0.002940 7.767705\nK Na B H\n1 1 2 8\ndirect\n0.352961 0.352961 0.352962 K\n0.857204 0.857203 0.857206 Na\n0.592957 0.592956 0.592958 B\n0.102728 0.102727 0.102728 B\n0.375320 0.859397 0.126690 H\n0.537188 0.537187 0.537189 H\n0.859398 0.126688 0.375320 H\n0.758957 0.316155 0.761166 H\n0.126688 0.375319 0.859398 H\n0.046660 0.046660 0.046660 H\n0.316155 0.761164 0.758959 H\n0.761165 0.758957 0.316156 H\n",
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"structure_string": "Li2 Ti2 Mn2 O8\n1.0\n5.775131 -0.000000 -0.000000\n2.887566 5.059169 -0.064694\n2.887566 1.625395 4.791395\nLi Ti Mn O\n2 2 2 8\ndirect\n0.124918 0.125082 0.125082 Li\n0.875083 0.874918 0.874918 Li\n0.500001 -0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Mn\n0.260471 0.260735 0.260735 O\n0.257869 0.270736 0.713527 O\n0.257868 0.713527 0.270736 O\n0.718061 0.260735 0.260735 O\n0.281941 0.739265 0.739265 O\n0.742133 0.729264 0.286473 O\n0.742133 0.286472 0.729263 O\n0.739531 0.739265 0.739265 O\n",
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"volume_molar": 10.608682583511293,
"formula_full": "K4 B2 C6 N6",
"formula_reduced": "K2B(CN)3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 4.721117592592592,
"spacegroup": 43
}
]
}