Zr fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 4.813423044979572 Optimization terminated successfully. Current function value: -101.630812 Iterations: 69 Function evaluations: 179 C11 = 1667.380740 +/- 0.007336 GPa C12 = 951.314102 +/- 0.005187 GPa C44 = 953.291356 +/- 0.001834 GPa B = 1190.002981 +/- 0.004235 GPa