Mo fcc Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000 3.9820850268006334 Optimization terminated successfully. Current function value: -26.067354 Iterations: 79 Function evaluations: 210 C11 = 195.781440 +/- 0.007336 GPa C12 = 299.170754 +/- 0.005187 GPa C44 = 63.832654 +/- 0.001834 GPa B = 264.707649 +/- 0.004235 GPa