I am very interested in LAMMPS code.
Now I am learning to use the LAMMPS code, but I have a question related to the command “lattice” as discibed as follows,
I create a lattice nd constructe a simulated box by the following command
make Cu(111) the upper plane
lattice fcc 3.615 orient z 1 1 1 orient x 1 -1 0 orient y 1 1 -2 origin 0 0 0
If we calculate the lattice spacing along the three directions, the values are listed below,
z: 6.261, x:5.112, y:8.855
But, when I run LAMMPS, the output in the screen is as follows,
Created orthogonal box = (0 0 0) to (97.152 185.935 66.186)
1 by 1 by 1 processor grid
Lattice spacing in x,y,z = 5.11238 5.90327 6.26136
Created 48435 atoms
The x, z directions are consistent, but not for y direction [11-2].
Could you please give me some suggestion about it?
Many thanks in advance!