../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C A_hP8_194_ef a c/a z1 z2 standard 1 2.5188 3.2978799 0.092975226 0.65554043 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001