An 8 × 8 × 1 supercell and a 3 × 3 × 1 Γ-centered k-points grid were employed, and the total energy convergence limit was set to 10 -8 eV for electronic minimization to obtain accurate IFCs. IFC calculations based on GAP were performed using the QUIP, quippy Python interface, and Atomic Simulation Environment (ASE) 26 software packages.