../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Rb A_aP1_2_a a b/a c/a alpha beta gamma standard 1 4.9755 1.0048236 1.004904 119.5488 119.4172 90.2172 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000