Si bcc ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000 3.418562859296799 Optimization terminated successfully. Current function value: -7.229022 Iterations: 73 Function evaluations: 194 C11 = 109.987514 +/- 0.007336 GPa C12 = 101.651117 +/- 0.005187 GPa C44 = 2.226928 +/- 0.001834 GPa B = 104.429916 +/- 0.004235 GPa