Zr diamond Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000 6.536976568400861 Optimization terminated successfully. Current function value: -36.600013 Iterations: 71 Function evaluations: 190 C11 = 377.693092 +/- 0.007336 GPa C12 = 224.496359 +/- 0.005187 GPa C44 = 141.774299 +/- 0.001834 GPa B = 275.561937 +/- 0.004235 GPa