B diamond Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000 3.8617362231016163
Optimization terminated successfully.
         Current function value: -39.519854
         Iterations: 70
         Function evaluations: 180

C11 =   267.094844 +/-     0.007336 GPa
C12 =   213.396175 +/-     0.005187 GPa
C44 =    32.478044 +/-     0.001834 GPa
B   =   231.295731 +/-     0.004235 GPa