Potential library

Materials jobs need a potential file next to input.lammps. The library is a hosted catalog: paper, DOI, source, license, and the pair_coeff filename. Add a potential to a project as a read-only file — you only choose the local name. Copy it to edit; the copy is unlinked from the hosted record. Provenance stays on the library card, not in a POTENTIALS.md dump.

How to import

1. Open a project → Inputs.
2. Click Add potential.
3. Search by element, author, or pair style. Open the card for the paper and license.
4. Choose the local filename (what pair_coeff must match). Add. The file is read-only and stays linked to the library record.
5. Copy the file if you need to edit it. That unlinks provenance.

From an agent, use MCP list_potentials, get_potential, then attach_potential. Same catalog, same read-only link.

Groups

• EAM metals — Mishin Al (alloy/setfl); Foiles–Baskes–Daw Cu / Ni / Au (funcfl).
• Tersoff / Stillinger–Weber — SiC.tersoff, Si.tersoff, Si.sw.
• Teaching — Lennard-Jones. No file; coefficients go inline.

Only styles compiled in the 17 Apr 2024 runner are listed. No ReaxFF, MEAM, or ML potentials.

al99-eam-alloy — Mishin Al

• File: Al99.eam.alloy · pair_style eam/alloy · units metal
• Use: pair_coeff * * Al99.eam.alloy Al
• Citation: Y. Mishin, D. Farkas, M. J. Mehl, D. A. Papaconstantopoulos, Phys. Rev. B 59, 3393 (1999). doi:10.1103/PhysRevB.59.3393
• Source: NIST IPR (setfl conversion by C. A. Becker, 30 Dec 2008)
• Used by: Al cold-spray starter / demos/cold-spray-al

cu-u3-eam — Foiles–Baskes–Daw Cu

• File: Cu_u3.eam · pair_style eam (funcfl, not alloy)
• Use: pair_coeff 1 1 Cu_u3.eam
• Citation: S. M. Foiles, M. I. Baskes, M. S. Daw, Phys. Rev. B 33, 7983 (1986). doi:10.1103/PhysRevB.33.7983
• Source: LAMMPS potentials/Cu_u3.eam

ni-u3-eam — Foiles–Baskes–Daw Ni

• File: Ni_u3.eam · pair_style eam
• Use: pair_coeff 1 1 Ni_u3.eam
• Same FBD 1986 paper. Source: Ni_u3.eam

au-u3-eam — Foiles–Baskes–Daw Au

• File: Au_u3.eam · pair_style eam
• Use: pair_coeff 1 1 Au_u3.eam
• Same FBD 1986 paper. Source: Au_u3.eam

sic-tersoff — Tersoff Si / C

• File: SiC.tersoff · pair_style tersoff
• Use: pair_coeff * * SiC.tersoff C (carbon only) or Si C
• Citation: J. Tersoff, Phys. Rev. B 39, 5566 (1989); errata Phys. Rev. B 41, 3248 (1990). doi:10.1103/PhysRevB.39.5566
• Source: LAMMPS SiC.tersoff (contributor Aidan Thompson)
• Used by: CNT buckle starter, demos/cnt-buckle, demos/graphene-fracture

si-tersoff — Tersoff Si

• File: Si.tersoff · pair_style tersoff
• Use: pair_coeff * * Si.tersoff Si
• Citation: J. Tersoff, Phys. Rev. B 37, 6991 (1988). doi:10.1103/PhysRevB.37.6991
• Source: LAMMPS Si.tersoff

si-sw — Stillinger–Weber Si

• File: Si.sw · pair_style sw
• Use: pair_coeff * * Si.sw Si
• Citation: F. H. Stillinger, T. A. Weber, Phys. Rev. B 31, 5262 (1985). doi:10.1103/PhysRevB.31.5262
• Source: LAMMPS Si.sw

lj-cut — Lennard-Jones (no file)

• No file. pair_style lj/cut 2.5 then pair_coeff 1 1 1.0 1.0 2.5
• Docs: pair_lj
• Used by: shear-melt, 2D quench, crystal-melt starters

API

• GET /api/potentials/ — public catalog. Query: q, group, element, pair_style.
• GET /api/potentials/:id/ — one record + links.
• POST /api/projects/:id/attach-potential/ — auth. Body: { "potential_id": "sic-tersoff", "filename": "SiC.tersoff" }. Creates a read-only library file.
• POST /api/files/:id/copy/ — copy a library file; the copy is writable and unlinked.

Rules

• Original pot bytes are never rewritten. EAM setfl and Tersoff files are positional.
• Pots are project files. The container image does not ship them.
• Cite the paper if you publish. The library is a convenience, not a license grant beyond the source.
• Cite LAMMPS itself (Thompson et al. 2022) — see Citing LAMMPS.