../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cl Cs I A2BC_hR4_166_c_a_b a c/a x3 standard 2 6.5693914 1.9038597 0.70585334 6.4824635 2.0189431 0.69632083 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001