interface orientation

Hi

I am having a question about orientation of <0001>hcp of Zr and <111> fcc ZrH2.I am usin the following commands to create the interface in that direction in z direction

units metal
boundary p p p
atom_style atomic
pair_style meam
region whole block 0.000000 30.0 0 30.0 -64.0361225 64.0361225 units box
create_box 2 whole
region upper block INF INF INF INF 0.000000 64.0361225 units box
lattice hcp 3.23
create_atoms 1 region upper
region lower block INF INF INF INF -64.0361225 -2.000000 units box
lattice fcc 4.83 orient x -1 -1 2 orient y 1 -1 0 orient z 1 1 1
create_atoms 1 region lower
region interstetial block INF INF INF INF -64.0361225 -2.000000 units box
lattice sc 2.415 origin 0.5 0.5 0.5 orient x -1 -1 2 orient y 1 -1 0 orient z 1 1 1
create_atoms 2 region interstetial

mass 1 91.224
mass 2 1.0079

pair_coeff * * meamf ZrN Hz ZrH2.meam ZrN Hz

Can you please tell me whether the commands used gives me correct orientation?

You should check this yourself by visualizing the result
and dumping the atom coords for a small system and
examining the dump file. Pay special attention
to atoms near the boundaries to see if your box size
is commensurate with the oriented lattice.

Steve