../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H Ni AB2_mC6_8_a_2a a b/a c/a beta x1 z1 x2 z2 x3 z3 standard 1 4.5055 0.576451 0.93945178 91.6647 0.99732524 0.028552073 0.66672245 0.68680766 0.33551475 0.20064027 MEAM_LAMMPS_KoShimLee_2011_NiH__MO_091278480940_001