../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Na Sn A15B4_cI76_220_ae_c a x2 x3 y3 z3 standard 1 13.0611 0.20938699 0.15437781 0.96202731 0.12325268 MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_002