../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner La O A2B3_hP5_164_d_ad a c/a z2 z3 standard 1 3.9878 1.5662019 0.75242959 0.35476425 Sim_LAMMPS_Buckingham_FangKeltyHe_2014_LaO__SM_576027677976_000