LAMMPS Snippet - Lattice Custom - SiC 3C
Lattice custom example for SiC 3C crystal structure.
This crystal structure is more commonly known as Zincblende. It is also Prototype: ZnS
Strukturbericht Designation: B3
Space Group: F-43m
lattice custom &
a1 1.0 0.0 0.0 &
a2 0.0 1.0 0.0 &
a3 0.0 0.0 1.0 &
basis 0.0 0.0 0.0 basis 0.5 0.0 0.5 basis 0.0 0.5 0.5 basis 0.5 0.5 0.0 basis basis basis basis
region box block 0 1 0 1 0 1 units lattice
create_box 2 box
create_atoms 2 box basis 1 2 basis 2 2 basis 3 2 basis 4 2 basis 5 1 basis 6 1 basis 7 1 basis 8 1
mass 1
mass 2