../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner N A_hP4_194_f a c/a z1 standard 1 4.2753 1.6578954 0.32853587 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001