../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al Ni A3B_oP16_62_cd_c a b/a c/a x1 z1 x2 z2 x3 y3 z3 standard 1 6.5475 1.1260023 0.73505918 0.0069209499 0.41270791 0.36993921 0.5595401 0.8282189 0.94590002 0.13714974 MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002