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{
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"structure_string": "Li2 Fe2 F8\n1.0\n4.982286 0.051219 0.382194\n-0.110941 4.628823 0.076296\n-0.430036 -0.102249 5.598038\nLi Fe F\n2 2 8\ndirect\n0.749991 -0.000008 0.649252 Li\n0.250009 0.000008 0.350748 Li\n0.750026 0.499955 0.172501 Fe\n0.249974 0.500044 0.827500 Fe\n0.586080 0.237613 0.380710 F\n0.076185 0.274440 0.111039 F\n0.086059 0.237601 0.619309 F\n0.576145 0.274436 0.888980 F\n0.423855 0.725563 0.111020 F\n0.913941 0.762398 0.380691 F\n0.923815 0.725559 0.888961 F\n0.413920 0.762387 0.619290 F\n",
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{
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"structure_string": "Na6 Fe2 O8\n1.0\n0.000000 5.200948 -0.000920\n6.376452 0.000000 0.000000\n0.000000 -1.930603 -5.357697\nNa Fe O\n6 2 8\ndirect\n0.250000 0.619879 0.000000 Na\n0.750000 0.380120 0.000000 Na\n0.250000 0.884963 0.500000 Na\n0.250000 0.373296 0.500000 Na\n0.750001 0.626704 0.500000 Na\n0.750001 0.115037 0.500000 Na\n0.250000 0.127746 0.000000 Fe\n0.750000 0.872254 0.000000 Fe\n0.050221 0.321701 0.783474 O\n0.493123 0.097003 0.812520 O\n0.550221 0.678299 0.783474 O\n0.993124 0.902996 0.812520 O\n0.449780 0.321701 0.216527 O\n0.506878 0.902996 0.187481 O\n0.949780 0.678299 0.216527 O\n0.006878 0.097003 0.187481 O\n",
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{
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"formula_full": "Nd14 S12 Cl18",
"formula_reduced": "Nd7(S2Cl3)3",
"formula_anonymous": "A6B7C9",
"energy_above_hull": 1.2642935048863635,
"spacegroup": 13
}
]
}