MD debris datasets

Each debris dataset directory must contain a meta.json file with recoil, target composition, lattice type, interatomic potentials, electronic interactions, DOI, and contributor metadata. For example:

{
  "recoil": "W",
  "target": {
    "W": 1.0
  },
  "lattice": "bcc",
  "interatomic_potentials": [
    "https://doi.org/10.1016/j.nimb.2009.06.123"
  ],
  "electronic_interactions": "SRIM",
  "doi": "https://doi.org/10.1038/s41467-018-03415-5",
  "contributors": [
    "A. E. Sand"
  ]
}

Configure the database with matching target, lattice, and electronic interaction filters:

irradiapy.config.set_debris_database(
    path="/path/to/CascadesDefectsDB",
    electronic_interactions="SRIM",
    target={"W": 1.0},
    lattice="bcc",
)

The optional interatomic_potentials, doi, and contributors arguments apply additional filters. All metadata comparisons, including lattice, are exact; target stoichiometries are compared numerically.