Si diamond Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000 5.40273416042 Optimization terminated successfully. Current function value: -37.025092 Iterations: 69 Function evaluations: 179 C11 = 181.782266 +/- 0.007336 GPa C12 = 92.179083 +/- 0.005187 GPa C44 = 57.108372 +/- 0.001834 GPa B = 122.046811 +/- 0.004235 GPa