../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Li Si A15B4_cI76_220_ae_c a x2 x3 y3 z3 standard 1 10.6043 0.45782278 0.12239097 0.154279 0.96342916 MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002