../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Br Cs F A2BC_tP4_123_g_c_a a c/a z3 standard 1 4.3904 1.6790497 0.33752969 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001