../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C N AB2_tP6_113_a_e a c/a x2 z2 standard 1 3.313 1.4331422 0.34558 0.8392 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001