../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ge A_hP8_194_ef a c/a z1 z2 standard 1 4.0525 3.2827144 0.093193141 0.65583867 Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004