# FeO film on Pt(111) from ase.build import (root_surface, fcc111, stack) primitive_substrate = fcc111('Pt', size=(1, 1, 4), vacuum=2) substrate = root_surface( primitive_substrate, 84) primitive_film = fcc111('Fe', size=(1, 1, 2), a=3.9, vacuum=1) primitive_film[1].symbol = 'O' film = root_surface(primitive_film, 67) interface = stack(substrate, film, fix=0, maxstrain=None)