../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Zn A2B_cP12_205_c_a a x2 standard 1 4.8357 0.4105419 Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001