Lattice structure?

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1

Hi, My question is regarding creating of lattice structure in LAMMPS. Case-1 for instance, I can build by specifying,

lattice custom 1 a1 1 0 0 a2 0 1 0 a3 0 0 1 basis 0 0 0
create_atoms 1 region w basis 1 1

How can I modify this to make Case-2 structure?

image.png

SG.

2

Hi, My question is regarding creating of lattice structure in LAMMPS.
Case-1 for instance, I can build by specifying,

lattice custom 1 a1 1 0 0 a2 0 1 0 a3 0 0 1 basis 0 0 0
create_atoms 1 region w basis 1 1

How can I modify this to make Case-2 structure?

first you have to find a way to fold space, since case 2 cannot exist as a
simple cubic unit cell as shown.

axel.

image.png