BCC Fe

Let’s take Fe Σ5[001]/(120) tilt grain boundary as an example. The initial structure is a BCC lattice structure. Enter 001 for the Rotation axis, 5 for the Σ, and 1 2 0 for the GB plane, and upload an initial structure. Remember to add the space between the integers in 1 2 0. The default output formate is poscar for VASP calculations.

Then click Build, you will see the following page. You can either copy & past the output or directly Download the file.