N diamond Sim_LAMMPS_ADP_TseplyaevStarikova_2016_UN__SM_474015477315_000 4.56308718026 Optimization terminated successfully. Current function value: -49.511780 Iterations: 75 Function evaluations: 198 C11 = 663.466017 +/- 0.007336 GPa C12 = 466.644530 +/- 0.005187 GPa C44 = 37.017990 +/- 0.001834 GPa B = 532.251692 +/- 0.004235 GPa