../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O A_hR2_166_c a c/a x1 standard 2 3.6456414 3.197122 0.052910347 3.4437661 3.3578167 0.053331807 Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000