../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C N A3B4_hP14_176_h_ch a c/a x2 y2 x3 y3 standard 1 6.4505 0.3756453 0.17819633 0.77310989 0.32981532 0.033098922 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001