Si diamond Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 5.463848382234573 Optimization terminated successfully. Current function value: -36.799820 Iterations: 69 Function evaluations: 171 C11 = 127.906574 +/- 0.007336 GPa C12 = 51.003322 +/- 0.005187 GPa C44 = 66.093632 +/- 0.001834 GPa B = 76.637739 +/- 0.004235 GPa