../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Br Cs Li A3BC2_oI12_71_af_b_e a b/a c/a x3 x4 standard 1 13.5217 0.42418483 0.34423926 0.1908942 0.78173248 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003