../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ge A_tP12_96_ab a c/a x1 x2 y2 z2 standard 1 6.0055 1.1783199 0.088509566 0.1717905 0.37026802 0.25483325 Tersoff_LAMMPS_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000