../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl Cs Li A2BC_tP8_129_ac_c_c a c/a z2 z3 z4 standard 1 4.9487 1.9520884 0.32713122 0.69471579 0.080584763 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001