../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Li Si A2B_hR6_166_2c_c a c/a x1 x2 x3 standard 1 4.3472231 4.2484594 0.64445444 0.20442839 0.93799989 MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002