../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Zn AB_hP4_186_b_b a c/a z1 z2 standard 1 3.1979 1.6039901 0.38191588 0.00048411652 Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001