Al sc Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 2.786631867289543 Optimization terminated successfully. Current function value: -2.960019 Iterations: 77 Function evaluations: 205 C11 = 200.917467 +/- 0.007336 GPa C12 = 75.971264 +/- 0.005187 GPa C44 = 50.339826 +/- 0.001834 GPa B = 117.619999 +/- 0.004235 GPa