Mo sc Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_002 2.67248822748661 Optimization terminated successfully. Current function value: -4.666564 Iterations: 71 Function evaluations: 190 C11 = 644.123600 +/- 0.007336 GPa C12 = -66.008596 +/- 0.005187 GPa C44 = -66.007499 +/- 0.001834 GPa B = 170.702136 +/- 0.004235 GPa