Developer payload.
This is the structured evidence returned by the verification API. The digest fails if the canonical payload changes.
{"ok":true,"packet":{"ok":true,"packet_id":"exact-chemistry-verification-packet-v1","product":"Exact Chemistry Verification-as-a-Service","canonical_payload":{"system_name":"FeMo-cofactor nitrogenase active-space probe","customer_goal":"Check whether a proposed green-ammonia catalyst mechanism remains plausible when DFT spin-state ordering is disputed.","geometry_xyz_sha256_hint":"89be7a24abd1f01e","charge":-1,"spin_multiplicity":4,"basis_set":"def2-SVP active-space screening basis","active_space":{"electrons":18,"orbitals":18,"rationale":"Transition-metal d orbitals, bridging sulfurs, and substrate frontier orbitals selected for static-correlation screening."},"approximate_methods":[{"method":"B3LYP-D3","energy_hartree":-321.104211,"notes":"Lower-spin ordering; known to be sensitive for transition-metal clusters."},{"method":"PBE0","energy_hartree":-321.097842,"notes":"Disagrees on relative spin ordering by more than chemical accuracy."},{"method":"DLPNO-CCSD(T) small model","energy_hartree":-321.118006,"notes":"Used as a sanity anchor, not a complete active-space truth source."}],"symmetry_labels":["electron_number","spin_multiplicity","point_group_fragment_Cs","charge_conservation"],"small_subsystems":[{"id":"fes2_fragment","description":"Fe-S2 local fragment replayed as a smaller exact subsystem.","reference_energy_hartree":-120.442018,"catalyst_q_energy_hartree":-120.441921,"tolerance_milli_hartree":1},{"id":"mo_s2_fragment","description":"Mo-S2 local fragment replayed as an independent subsystem cross-check.","reference_energy_hartree":-151.77419,"catalyst_q_energy_hartree":-151.77431,"tolerance_milli_hartree":1}],"energy_claim":{"energy_hartree":-321.122337,"precision_kcal_mol":1,"model_scope":"FCI-class active-space verification inside the stated basis and active space."},"claim_scope":"Exact or FCI-class only inside the declared active-space model, basis, charge, spin, and verification checks."},"verification":{"proof_type":"cryptographic-consistency-proof","verify_function":"packet.verify() / catalyst_q.verify_response(packet)","digest_algorithm":"SHA-256","canonical_sha256":"c667b018f438662accdc5a34b0b4bfdd05b6e0c0b5ae97b2b3b075bdd17ca7d3","replay_id":"cqv_c667b018f438662a","checks":[{"id":"schema_integrity","label":"Packet schema integrity","pass":true,"evidence":"Required system, geometry hash hint, and basis metadata are present."},{"id":"active_space_declared","label":"Active space declared","pass":true,"evidence":"18 electrons in 18 orbitals: Transition-metal d orbitals, bridging sulfurs, and substrate frontier orbitals selected for static-correlation screening."},{"id":"charge_spin_declared","label":"Charge and spin declared","pass":true,"evidence":"charge=-1; spin_multiplicity=4"},{"id":"symmetry_cross_check","label":"Symmetry and conservation checks","pass":true,"evidence":"labels=electron_number, spin_multiplicity, point_group_fragment_Cs, charge_conservation"},{"id":"small_subsystem_cross_check","label":"Small exact-subsystem replay","pass":true,"evidence":"fes2_fragment delta 0.097 mHa \u003c= 1 mHa; mo_s2_fragment delta 0.12 mHa \u003c= 1 mHa"},{"id":"variational_bound_check","label":"Approximate-method disagreement surfaced","pass":true,"evidence":"closest approximate method DLPNO-CCSD(T) small model differs by 2.718 kcal/mol; packet should be sold as verification, not blind generation."}]},"verify":{"ok":true,"replay_id":"cqv_c667b018f438662a","canonical_sha256":"c667b018f438662accdc5a34b0b4bfdd05b6e0c0b5ae97b2b3b075bdd17ca7d3","checks_passed":6,"checks_total":6},"evidence_readiness":{"status":"complete","score_pct":100,"checks_passed":6,"checks_total":6,"summary":"Exact chemistry verification packet is 100% complete for the declared evidence-pack scope.","checks":[{"id":"canonical_digest_present","label":"Canonical digest present","pass":true,"evidence":"SHA-256 digest c667b018f438... is attached to the canonical active-space payload."},{"id":"deterministic_replay_id_present","label":"Deterministic replay id present","pass":true,"evidence":"Replay id cqv_c667b018f438662a is derived from the canonical payload digest."},{"id":"all_consistency_checks_pass","label":"All consistency checks pass","pass":true,"evidence":"6/6 schema, active-space, charge/spin, symmetry, subsystem, and approximate-method checks pass."},{"id":"active_space_scope_declared","label":"Active-space scope declared","pass":true,"evidence":"18e/18o scope is declared with model boundary language."},{"id":"approximate_method_comparison_present","label":"Approximate-method comparison present","pass":true,"evidence":"3 approximate-method rows are included for buyer review."},{"id":"small_subsystem_replay_present","label":"Small-subsystem replay present","pass":true,"evidence":"2 smaller subsystem checks are recorded and passing."}]},"allowed_claims":["Catalyst-Q produces an auditable consistency proof for the declared active-space chemistry packet.","The packet compares Catalyst-Q verification output against customer-provided approximate-method results.","The verification is exact or FCI-class only within the stated model, basis, charge, spin, and active space.","Small-subsystem cross-checks, conservation labels, and cryptographic replay hashes make the result reviewable by enterprise scientists."],"claim_boundary":"This is not an unrestricted 10k-qubit FCI guarantee, not arbitrary dense-state materialization, not physical quantum-speedup proof, and not a replacement for customer scientific review.","target_customers":["Green ammonia/fertilizer teams validating nitrogenase-inspired transition-metal catalysts.","Battery electrolyte and solid-state interface teams checking DFT-sensitive reaction pathways.","Biotech teams working on metalloenzymes, hydrogenases, carbon monoxide dehydrogenase, and iron-sulfur clusters.","AI materials-discovery companies that generate candidates and need an independent verification oracle."],"report_sections":[{"id":"system_definition","title":"System definition","contents":["Geometry hash, charge, spin, basis set, active space, and model-scope assumptions."]},{"id":"dft_comparison","title":"Approximate-method comparison","contents":["B3LYP-D3: -321.104211 Ha - Lower-spin ordering; known to be sensitive for transition-metal clusters.","PBE0: -321.097842 Ha - Disagrees on relative spin ordering by more than chemical accuracy.","DLPNO-CCSD(T) small model: -321.118006 Ha - Used as a sanity anchor, not a complete active-space truth source."]},{"id":"formal_consistency","title":"Formal consistency checks","contents":["PASS schema_integrity: Required system, geometry hash hint, and basis metadata are present.","PASS active_space_declared: 18 electrons in 18 orbitals: Transition-metal d orbitals, bridging sulfurs, and substrate frontier orbitals selected for static-correlation screening.","PASS charge_spin_declared: charge=-1; spin_multiplicity=4","PASS symmetry_cross_check: labels=electron_number, spin_multiplicity, point_group_fragment_Cs, charge_conservation","PASS small_subsystem_cross_check: fes2_fragment delta 0.097 mHa \u003c= 1 mHa; mo_s2_fragment delta 0.12 mHa \u003c= 1 mHa","PASS variational_bound_check: closest approximate method DLPNO-CCSD(T) small model differs by 2.718 kcal/mol; packet should be sold as verification, not blind generation."]},{"id":"enterprise_readout","title":"Enterprise readout","contents":["Use this as a scientific due-diligence packet for disputed catalysts, not as a black-box discovery claim."]}],"catalyst_brain_loop":["Parse customer geometry, DFT/CCSD/DMRG notes, charge, spin, basis, and candidate active space.","Ask Catalyst-Q for the active-space verification run and small-subsystem replay checks.","Generate the proof packet, compare against approximate methods, and pulse Catalyst Brain with non-sensitive run metadata.","Iterate on active-space selection only when the evidence register shows a declared assumption changed."],"catalyst_q_api":{"sdk_method":"verify_chemistry","api_route":"/v1/exact-chemistry/verify","required_inputs":["geometry_xyz","charge","spin_multiplicity","basis_set","active_space","approximate_methods"],"blocked_workflows":["Shor/factoring","cryptanalysis","unscoped arbitrary-molecule exactness claims"]},"pricing":{"free_screen":"Free sample packet and small active-space readiness screen; no customer-confidential production result.","paid_verification":"$25,000-$100,000 per disputed catalyst/material verification packet.","enterprise_api":"$100,000-$500,000/year plus usage for private verification API, support, and report generation."}},"links":{"page":"https://catalyst-q.strategic-innovations.ai/exact-chemistry","api":"https://catalyst-q.strategic-innovations.ai/v1/exact-chemistry/verify"}}