../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cr O A2B3_hR10_167_c_e a c/a x1 x2 standard 1 5.0909605 2.7033603 0.34974468 0.55090488 Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_000