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Materials residual audit v1

  • Stability: development
  • Revision: v1-development
  • Scope: a frozen starting interatomic potential evaluated on a candidate set with reference energy and force labels

This convention supports the synthetic CLI fixture. A real adapter must retain structure identity, composition, reference method, physical units, split role, and starting-model revision in its native evidence.

force_residual_rmse

Root mean squared difference between starting-model and reference force components over retained structures. Unit: electronvolt_per_angstrom. Its direction is contextual because both negligible and extreme residuals can be uninformative for a finite training budget.

chemical_system_coverage

Normalized effective count over the declared chemical-system labels. Unit: normalized_effective_system_count. The adapter must define the label and weighting rule in its measurement contract.

reference_label_cost

Number of structures requiring reference labels for the candidate. Unit: reference_structures. This is a count, not a hardware-independent estimate of wall-clock or monetary cost.