../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Si A_tI8_139_h a c/a x1 standard 1 6.6881 0.57703982 0.8213634 Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000