Ti sc Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 2.530121117830276 Optimization terminated successfully. Current function value: -3.894051 Iterations: 87 Function evaluations: 236 C11 = 398.807431 +/- 0.007336 GPa C12 = 199.430923 +/- 0.005187 GPa C44 = -100.402622 +/- 0.001834 GPa B = 265.889759 +/- 0.004235 GPa