[ase-users] ASE.UTILS.GEOMETRY question

[S. Sanchez]

Dear ASE users,

I have a rather simple question, regarding the "ase.utils.geometry" module.

I was able to construct a (111) surface out of a crystalline system that
contains 2 different atoms. Now, I want to know how can I control the
beginning/termination of my surface.

That is, if I want the first and last layers of my slab to have the same
type of atoms, how can I do that? Could you please advice?

After running my script, I got the following 6-layer slab:
layer-1 Atom_A
layer-2 Atom_B
layer-3 Atom_B
layer-4 Atom_A
layer-5 Atom_B
layer-6 Atom_B

However, I'd like to have something like this:
layer-1 Atom_B
layer-2 Atom_A
layer-3 Atom_B
layer-4 Atom_B
layer-5 Atom_A
layer-6 Atom_B

Best,
SS
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