../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Br Cs F ABC_tI12_139_e_e_e a c/a z1 z2 z3 standard 1 4.4172 4.5202617 0.93941871 0.66744265 0.81569428 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003