Data set for W edge dislocation relaxation with LAMMPS All calculations are performed using the w_eam2.fs EAM potential with LAMMPS. An a0 [100] (010) edge dislocation is created using elasticity theory: both the classical (TLE) solution, and the new (PNAS) solution. The overall workflow is straightforward; the initial positions are in the Initial-positions directory, which contains a Jupyter notebook to construct the isotropic edge dislocation solutions in a self-consistent manner. Self-consistency is required, as the displacements from the fictious reference crystal are defined in terms of the defect positions, and so must be found iteratively from the elastic solution.