[lammps-users] fcc lattice along (111) plane

Dear LAMMPS users,

I want to set up a lattice with fcc structure along (111) plane. The lattice command in LAMMPS with fcc style seems to set up only along (100) plane. So I tried hcp style, because the closest-packed lattice layer may serve as either the basal plane of an hcp structure or the (111) plane of the fcc structure. I am wondering this idea is doable or not. If not, how should I do with LAMMPS?

Your help would be most appreciated.


Dear Yajie,

If you check the LAMMPS website, under the lattice command (
http://lammps.sandia.gov/doc/lattice.html ) you'll see that it has options
for changing the orientation of the crystal lattice (fcc or other) relative
to the x-y-z directions that define the box. Specifically, you need to use
the "orient" option for this command. For example, the command

lattice fcc 4.08 orient x 1 1 1 orient y 1 -1 0 orient z 1 1 -2

Used before the "create atoms" command will orient your lattice such that
the x-direction is along [1 1 1].


Jon Zimmerman