../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cl Cs Li A4BC3_oC32_63_4c_c_3c a b/a c/a y1 y2 y3 y4 y5 y6 y7 y8 standard 1 4.5103 7.1145822 1.1741569 0.064973674 0.24258163 0.84931672 0.45810172 0.65336273 0.7741855 0.53286934 0.92672688 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000