../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl F AB_mP8_14_e_e a b/a c/a beta x1 y1 z1 x2 y2 z2 standard 1 8.3771 0.44880687 0.88105669 131.3752 0.84604872 0.010888948 0.63647374 0.63092975 0.2791981 0.47825765 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001