../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C H AB_cI16_199_a_a a x1 x2 standard 1 4.3206 0.088952473 0.44338402 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001