O fcc Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 2.956444382667542 Warning: Maximum number of iterations has been exceeded. C11 = 1391.045610 +/- 0.007336 GPa C12 = 1746.025682 +/- 0.005187 GPa C44 = 134.130698 +/- 0.001834 GPa B = 1627.698992 +/- 0.004235 GPa