../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C O AB2_oP6_58_a_g a b/a c/a x2 y2 standard 1 4.4189 1.0212949 1.1326801 0.18508616 0.18705273 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001