../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C A_tI8_139_h a c/a x1 standard 1 4.3798 0.57333668 0.81976373 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001