O diamond Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 4.528091661632061
Optimization terminated successfully.
         Current function value: -5.142030
         Iterations: 75
         Function evaluations: 194

C11 = -2348212.721973 +/-     0.007336 GPa
C12 =    99.372212 +/-     0.005187 GPa
C44 = -880569.643789 +/-     0.001834 GPa
B   = -782671.325850 +/-     0.004235 GPa