C bcc Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 2.159991279244423 Optimization terminated successfully. Current function value: -6.819776 Iterations: 1064 Function evaluations: 3167 C11 = 1075.618321 +/- 0.007336 GPa C12 = 871.076889 +/- 0.005187 GPa C44 = 601.983225 +/- 0.001834 GPa B = 939.257366 +/- 0.004235 GPa