../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cs F Li A3B5C2_tI20_139_ae_bde_e a c/a z4 z5 z6 standard 1 4.1655 5.4761733 0.63748856 0.13887115 0.22324275 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001