../../td/EquilibriumCrystalStructure__TD_457028483760_002/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 Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000