Zr diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 7.783120161294948 Optimization terminated successfully. Current function value: -75.863195 Iterations: 75 Function evaluations: 193 C11 = 4311066.728245 +/- 0.007336 GPa C12 = 148.395524 +/- 0.005187 GPa C44 = 1616648.084825 +/- 0.001834 GPa B = 1437121.173098 +/- 0.004235 GPa