../../td/EquilibriumCrystalStructure__TD_457028483760_001/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 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000