W-B tabGAP interatomic potential and training data

Data for the tabGAP machine-learned interatomic potential for tungsten-boron surfaces. Files: tabGAP potential files: B-W-Ar.tabgap and B-W-Ar.eam.fs. Note that they include repulsive ZBL interactions for Ar, but ones does not need to have Ar in the simulation. Training data (train-final.xyz) Training input parameters and repulsive baseline potential for QUIP/GAP fitting (input_gap_fit.py and pairpot.xml) Output GAP potential files (gap.xml*), i.e. pre-tabulated potential files. If you want to run simulations with LAMMPS, you only need the tabGAP potential files. Compile LAMMPS with the tabGAP pair style and find input examples from https://gitlab.com/jezper/tabgap