../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O A_hP4_194_f a c/a z1 standard 1 2.5258 3.3934595 0.67829089 Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001