Thank you all for your help with setting up my dislocation the other day. Now I am doing a different configuration (based on what some in the lit have done), and have a question. Basically, I am using a different coordinate system ([1 1 -2], [1 1 1], [1 -1 0]), and am confused how lammps maps this to xyz. Though I want to work in this coordinate system, I want the atoms to stay on normal bcc lattice positions. Currently, I am defining a lattice: