Ti-C MXene training data, input, and tabGAP potential files

Data for the machine-learned interatomic potential for bare Ti-C MXenes https://arxiv.org/abs/2603.04152 tabGAP potential files with and without He repulsive pair interactions (C-Ti.* and C-Ti-He.* -- note that the C-Ti interactions are identical in both file pairs) Training data (train.xyz) Training input for QUIP/GAP (*.py and pairpot.xml) Output GAP potential files (gap.xml*) If you want to run simulations with LAMMPS, you only need the tabGAP potential files. Compile LAMMPS with the tabGAP pair style from https://gitlab.com/jezper/tabgap