Hi
I am working a mineral cif that I replicate to form a fully periodic mineral cell. I take that cell into ovito and slice off atoms along a 110 plane, opening up a 110 surface. I can then read this into lammps, but because the surface is not oriented along one of the x, y, z it makes boundary conditions and associated commands have significant issues.
Is there some way to rotate the unit cell such that the 110 now points along one of the x y or z axis? That way I could for example have p p f boundary conditions with the free 110 surface on the z axis