Mo fcc SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000 3.146926522254944 Optimization terminated successfully. Current function value: -51.081815 Iterations: 95 Function evaluations: 259 C11 = 961.113220 +/- 0.007336 GPa C12 = 479.180506 +/- 0.005187 GPa C44 = 487.991808 +/- 0.001834 GPa B = 639.824744 +/- 0.004235 GPa