../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner La O A2B3_cI80_206_ad_e a x2 x3 y3 z3 standard 1 11.5339 0.77949159 0.10160751 0.13973438 0.62850126 Sim_LAMMPS_Buckingham_FangKeltyHe_2014_LaO__SM_576027677976_000