Al diamond Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 5.912506207823753 Optimization terminated successfully. Current function value: -20.477884 Iterations: 84 Function evaluations: 227 C11 = 24.324629 +/- 0.007336 GPa C12 = 38.141281 +/- 0.005187 GPa C44 = -17.427714 +/- 0.001834 GPa B = 33.535730 +/- 0.004235 GPa