../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C N AB2_tI6_119_a_f a c/a z2 standard 1 2.4686 2.426274 0.1381395 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001