Si bcc ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000 3.32416507601738 Warning: Maximum number of iterations has been exceeded. C11 = 566.960500 +/- 0.007336 GPa C12 = 151.389477 +/- 0.005187 GPa C44 = 9.057934 +/- 0.001834 GPa B = 289.913151 +/- 0.004235 GPa