../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ce O A2B3_cI80_206_ad_e a x2 x3 y3 z3 standard 1 11.3753 0.27967813 0.85996091 0.12873924 0.39904143 Sim_LAMMPS_Buckingham_ArimaYamasakiTorikai_2005_CeO__SM_328512278696_000