Fe diamond Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 4.012120544910431
Warning: Maximum number of iterations has been exceeded.

C11 = -10073354.114224 +/-     0.007336 GPa
C12 =   210.241956 +/-     0.005187 GPa
C44 = -3777618.917026 +/-     0.001834 GPa
B   = -3357644.543437 +/-     0.004235 GPa