../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cs A_oC4_63_c a b/a c/a y1 standard 1 5.4396 1.7485477 1.6329142 0.66118538 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000