""" Nanoparticle ============ """ from ase.cluster.cubic import FaceCenteredCubic from ase.io import write surfaces = [(1, 0, 0), (1, 1, 0), (1, 1, 1)] layers = [6, 9, 5] lc = 3.61000 culayer = FaceCenteredCubic('Cu', surfaces, layers, latticeconstant=lc) culayer.rotate(6, 'x', rotate_cell=True) culayer.rotate(2, 'y', rotate_cell=True) renderer = write('layer.Cu.pov', culayer) renderer.render() surfaces = [(1, 0, 0), (1, 1, 1), (1, -1, 1)] layers = [6, 5, -1] trunc = FaceCenteredCubic('Cu', surfaces, layers) trunc.rotate(6, 'x', rotate_cell=True) trunc.rotate(2, 'y', rotate_cell=True) renderer = write('trunc.Cu.pov', trunc) renderer.render()