../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si A_cI82_217_acgh a x2 x3 z3 x4 y4 z4 standard 1 12.484 0.60872638 0.067937819 0.29127613 0.022996208 0.36892608 0.23626523 ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000