../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O A_oC12_63_cg a b/a c/a y1 x2 y2 standard 1 9.6235 0.39411856 0.73089832 0.81430905 0.38555224 0.48918155 Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000