../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C O AB2_oC12_64_a_f a b/a c/a y2 z2 standard 1 5.3891 0.93438608 1.3091054 0.8226447 0.10836104 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001