O diamond Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 4.006885766983032
Optimization terminated successfully.
         Current function value: -11.779768
         Iterations: 74
         Function evaluations: 197

C11 =   593.123001 +/-     0.007336 GPa
C12 =   129.447168 +/-     0.005187 GPa
C44 =   195.956509 +/-     0.001834 GPa
B   =   284.005779 +/-     0.004235 GPa