../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cs K AB2_hP12_194_f_ah a c/a z2 x3 standard 1 9.0643 1.6295026 0.063107179 0.8304031 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000