Mo diamond Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000 4.13077291101 Optimization terminated successfully. Current function value: -34.703513 Iterations: 71 Function evaluations: 186 C11 = 494.384288 +/- 0.007336 GPa C12 = 217.816923 +/- 0.005187 GPa C44 = 345.104329 +/- 0.001834 GPa B = 310.006044 +/- 0.004235 GPa