Data for: “Critical thickness for antiferroelectric-like phase transition in BiFeO₃/SrRuO₃ superlattices”

This dataset contains the raw numerical data underlying all figures in the associated manuscript, including relaxed atomic structures, oxygen octahedral tilt angles, polar distortion energies, and electrostatic potential profiles for n/n BiFeO₃/SrRuO₃ superlattices (n=2-6). The data is provided in .txt format for reproducibility.