Our Si geometries and VASP numeric energy/force/stress labels were calculated on Yuansuan HPC, not generated by a pretrained potential. No POTCAR/WAVECAR/full OUTCAR/XML or shared binaries included. Own trained model weights and teaching scripts supplied under MIT (see licenses/MACE-MIT.txt); MACE-MPA-0 parent weights MIT are referenced by URL and SHA, not copied. Official MACE: https://github.com/ACEsuit/mace ; foundation: https://github.com/ACEsuit/mace-foundations ; LAMMPS30Sep2026 Python library binding is GPL-2.0, license preserved under licenses/, source https://github.com/lammps/lammps/tree/stable_30Sep2026/python/lammps . Models are for this small near-equilibrium silicon teaching dataset only.
