Fe fcc Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 3.627988576889038
Optimization terminated successfully.
         Current function value: -17.360084
         Iterations: 78
         Function evaluations: 208

C11 =    64.928753 +/-     0.007336 GPa
C12 =   115.221077 +/-     0.005187 GPa
C44 =   115.221425 +/-     0.001834 GPa
B   =    98.456969 +/-     0.004235 GPa