H diamond Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 3.7209955006837854 Warning: Maximum number of iterations has been exceeded. C11 = -8621212.854567 +/- 0.007336 GPa C12 = 13.119346 +/- 0.005187 GPa C44 = -3232991.334657 +/- 0.001834 GPa B = -2873728.871958 +/- 0.004235 GPa