../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C H N O AB4C2D_tP16_129_c_i_ac_c a c/a z2 z3 z4 y5 z5 standard 1 5.1718 1.1234967 0.54315392 0.75150224 0.33535743 0.91586555 0.89722261 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001