Data and models for "Learning electronic-state-dependent potential-energy surfaces for dislocation dynamics"

Deep Potential models of magnesium trained at fixed excess electron numbers of 0, 0.01 and 0.02 e/atom (GS, CS1, CS2), together with the DFT labelling settings, LAMMPS inputs and relaxed <c+a> edge-dislocation dipole cells (2.8 x 10^5 atoms), shear stress-strain data, DXA dislocation-tracking data and analysis scripts supporting the manuscript. Version 1 contains the core data; labelled DFT datasets and MD trajectories will be added in later versions. See README.md.