../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cr O AB2_oP6_58_a_g a b/a c/a x2 y2 standard 1 4.4562 1.0139805 0.66980836 0.29380818 0.30947639 Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_000