Al fcc Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 4.0415970236062995 Optimization terminated successfully. Current function value: -13.479155 Iterations: 70 Function evaluations: 184 C11 = 264.944391 +/- 0.007336 GPa C12 = 66.409266 +/- 0.005187 GPa C44 = 35.403586 +/- 0.001834 GPa B = 132.587641 +/- 0.004235 GPa