../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Si A_hP4_194_f a c/a z1 standard 1 3.8496 1.6527431 0.56294015 Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000