../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C N A3B2_cP20_215_i_2e a x1 x2 x3 z3 standard 1 5.0868 0.24728374 0.73225255 0.15596662 0.49723786 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001