tasks/candidate-0938-science-chemistry/tests/fixtures/expected_output.json

{
  "schema_version": "orbital-report.v1",
  "records": [
    {"id": "benzene_restricted", "status": "ok", "closed_shell": true},
    {"id": "radical_open_shell", "status": "ok", "closed_shell": false},
    {"id": "unrestricted_equal", "status": "ok", "closed_shell": true},
    {"id": "missing_coefficients", "status": "missing_attribute", "missing": "mocoeffs"},
    {"id": "missing_energies", "status": "missing_attribute", "missing": "moenergies"},
    {"id": "missing_homos", "status": "missing_attribute", "missing": "homos"}
  ],
  "summary": {"case_count": 6, "closed_shell_count": 2, "missing_attribute_count": 3, "ok_count": 3}
}