../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cl Cs Li A5B3C2_mC20_8_a2b_ab_b a b/a c/a beta x1 z1 x2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 standard 1 7.3282 3.3332742 0.81612128 144.7989 0.24097019 0.75469531 0.74167038 0.75723369 0.24404848 0.11965273 0.25522148 0.74540005 0.25771377 0.67254144 0.74478487 0.12486553 0.26560484 0.24482632 0.21561817 0.28596774 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000