../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ge A_hP4_194_f a c/a z1 standard 1 4.0447 1.6504562 0.56285163 Tersoff_LAMMPS_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000