../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C O AB_cP8_198_a_a a x1 x2 standard 1 5.6402 0.45400088 0.57106038 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001