../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Li A_oP6_51_ak a b/a c/a y2 z2 standard 1 5.8644 1.0712434 0.49788555 0.30413694 0.51007836 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000