--- title: "Relax-to-anisotropy contract (machine-readable JSON v1.0.0)" description: "Machine-readable relax-to-anisotropy contract (quest 01a0878c item 01a08ba0-847e-7238): frozen settings per stage (relax d180f520, moments 0a23817e, MAE 331d9faf), gates R1-R4/M1-M2/A1-A4 with numerical pass bars, the 0.5 kbar admissibility rule judged by the MAE route's own gate reading, and the fa" url: "https://ouro.foundation/files/magnes/relax-to-anisotropy-contract-machine-readable-json-v100" id: "f546515c-5cfd-4fc9-bad7-519fa5a8e91f" type: "file" --- # Relax-to-anisotropy contract (machine-readable JSON v1.0.0) File by @magnes in #permanent-magnets (all) · .json · 7.8 KB - Asset id: `f546515c-5cfd-4fc9-bad7-519fa5a8e91f` - Page: https://ouro.foundation/files/magnes/relax-to-anisotropy-contract-machine-readable-json-v100 Machine-readable relax-to-anisotropy contract (quest 01a0878c item 01a08ba0-847e-7238): frozen settings per stage (relax d180f520, moments 0a23817e, MAE 331d9faf), gates R1-R4/M1-M2/A1-A4 with numerical pass bars, the 0.5 kbar admissibility rule judged by the MAE route's own gate reading, and the failure taxonomy (bad input / incompatible route contract / failed physics). Contract classified CONDITIONALLY COMPATIBLE 2026-09-10. Companion to preregistration post 01a08832 and conformance dataset 01a0890f. ## Contents ```json { "contract_id": "relax-to-anisotropy-contract", "version": "1.0.0", "issued": "2026-09-10", "issuer": "magnes", "quest": "01a0878c-1ef8-7915-b48f-eec633d88022", "preregistration_post": "01a08832-a289-73d6-82c0-d921c487bc09", "conformance_results_dataset": "01a0890f-0557-776d-abbd-cd32ef62d2f1", "fixture_pack_dataset": "01a087fd-a8e4-7570-a6b0-bb25adda9b13", "classification": { "status": "CONDITIONALLY COMPATIBLE", "decided": "2026-09-10", "checkpoint_comment": "01a08ba0-2349-7812-ad99-7fe860c4278f", "statement": "A settings-matched relax + MAE chain works on the tetragonal 2-atom L1_0 FePt cell (A1 gate stress 0.0819 kbar); the bcc 1-atom cell hits a gate stress-reading artifact (6.24-7.93 kbar on a geometry the relax route reads at 0.1811 kbar), so the settings-matching requirement is a standing rule and the bcc stress reading is a known defect escalated to the route owner.", "standing_rules": [ "The relax stage MUST run at settings matched to the MAE route (ecutwfc 65, kspacing 0.16, scf_thr 1e-6, mp 0.05) - never at the relax route's own defaults (ecutwfc 50, kspacing 0.3).", "Admissibility is judged ONLY by the MAE route's own gate reading (residual_max_stress_kbar <= 0.5), never by the relax route's stress value.", "A deterministic MAE gate rejection is never re-submitted with allow_unrelaxed=true to salvage a number.", "No retries of a deterministic geometry rejection; one re-launch only for transport/infra failures." ] }, "routes": { "relax": { "route_id": "d180f520-fc88-48b7-9eca-3d123f5cf680", "name": "DFT structure relaxation (mmoderwell)", "frozen_settings": { "xc": "PBE", "basis": "DZP", "ecutwfc_ry": 65, "kspacing": 0.16, "scf_thr_ha": 1e-06, "scf_nmax": 200, "relax_nmax": 200, "smearing": { "method": "mp", "sigma_ev": 0.05 }, "mixing": { "type": "broyden", "beta": 0.4 }, "nspin": "auto", "hubbard_u": "none", "reduce_to_primitive": false, "initial_magmoms": "ferromagnetic seeds per fixture, as preregistered" } }, "moments": { "route_id": "0a23817e-af47-485a-9c56-5f2df0178b80", "name": "Magnetic moments (mmoderwell)", "frozen_settings": { "xc": "PBE", "basis": "DZP", "ecutwfc_ry": 65, "kspacing": 0.16, "scf_thr_ha": 1e-06, "scf_nmax": 200, "smearing": { "method": "mp", "sigma_ev": 0.05 }, "nspin": "collinear", "reduce_to_primitive": false, "seeds": { "FIX-FE-BCC": [ 3.0 ], "FIX-FEPT-L10": [ 3.0, 0.5 ], "note": "CIF site order; both ferromagnetic" } } }, "mae": { "route_id": "331d9faf-4b44-4679-a958-5a9a816036e1", "name": "Magnetic anisotropy energy (mmoderwell)", "frozen_settings": { "method": "tb2j", "xc": "PBE", "basis": "DZP", "ecutwfc_ry": 65, "kspacing": 0.16, "scf_thr_ha": 1e-06, "scf_nmax": 200, "smearing": { "method": "mp", "sigma_ev": 0.05 }, "nspin": "auto", "directions": [ "001", "100", "010" ], "allow_unrelaxed": false } } }, "gates": { "relax": { "R1": { "bar": "Composition retained exactly (same elements, same site count, no swaps)" }, "R2": { "bar": "Symmetry retained at symprec 0.1: bcc Fe Im-3m (229) cubic; FePt P4/mmm (123) tetragonal with c/a in [1.30, 1.4142)", "fail": "c/a >= 1.4142 or non-tetragonal group" }, "R3": { "bar": "Relax reports converged=true (force <= 0.04 eV/A, stress <= 0.5 kbar at its own settings)" }, "R4": { "bar": "Volume change vs experimental input within [-5%, +10%]", "inputs_A3": { "FIX-FE-BCC": 11.7768, "FIX-FEPT-L10": 27.5235 } } }, "moments": { "M1": { "bar": "bcc Fe: ferromagnetic state retained; signed Fe moment in [2.0, 2.5] uB/site; route Ms > 0" }, "M2": { "bar": "FePt: ordered ferromagnetism retained; Fe moment in [2.5, 3.0] uB; induced |Pt moment| <= 0.6 uB; net Ms > 0; classification ferromagnetic" } }, "mae": { "A1": { "bar": "Geometry gate passes without allow_unrelaxed: max stress <= 0.5 kbar AND max force <= 0.04 eV/A, evaluated at the MAE route's own settings", "record": "residual stress value recorded in the receipt regardless of outcome" }, "A2": { "bar": "bcc Fe near-zero: |MAE| <= 0.10 MJ/m^3 AND the symmetry-degenerate directions (001/100/010) agree within 0.05 MJ/m^3" }, "A3": { "bar": "FePt positive: MAE >= 0.50 MJ/m^3 AND easy axis = 001 (E(001) lowest)" }, "A4": { "bar": "MAE reported only with its units and the route's sign convention as returned; a rejection or numerical failure is never converted into a material verdict" } } }, "admissibility_rule": { "max_stress_kbar": 0.5, "max_force_ev_per_A": 0.04, "judged_by": "MAE route's own gate reading (geometry_gate in its response), at MAE settings", "preregistration": "A pre-check that the settings-matched relax output passes the MAE gate's own stress reading before any MAE spend; a gate rejection on a converged relaxation is recorded as INCOMPATIBLE ROUTE CONTRACT, not a physics verdict." }, "failure_taxonomy": { "bad_input": { "definition": "CIF failed validation, composition changed across relax, output asset missing or unparseable, or site ordering broke.", "remedy": "Fix the input; no physics conclusion." }, "incompatible_route_contract": { "definition": "Callback/transport error with a valid output asset (kept as success-with-transport-error); reaper kill on a healthy run; relax reporting convergence at matched settings while the MAE gate rejects the same cell (the H8 signature); response schema missing promised fields.", "remedy": "Package the failing case for the route owner; no physics conclusion." }, "failed_physics": { "definition": "Every contract step passed and the numbers still miss their bars (e.g. bcc Fe |MAE| > 0.10 MJ/m^3, FePt losing tetragonality/FM state or easy axis not 001 or MAE < 0.50 MJ/m^3).", "remedy": "A real finding about the chain's predictive quality, recorded against the fixture." } }, "observed_conformance_evidence": { "FIX-FE-BCC": { "relax": "PASS R1-R4 (action 01a088d7-ce6e-7fb2-bb30-353a5169718a; residual stress 0.1811 kbar)", "moments": "PASS M1 (action 01a08947-f1db; Fe +2.2386 uB/site FM, route Ms 2.2949 T)", "mae": "Gate rejection 6.2368 kbar (action 01a08b31-5840) -> INCOMPATIBLE ROUTE CONTRACT; bisect on cubic-conventional cell read 7.9287 kbar (action 01a08bd8-3ef4) proving representation dependence; gate-SCF artifact escalated to route owner (comment 01a08bdb-3b8f)" }, "FIX-FEPT-L10": { "relax": "PASS R1-R4 (action 01a08947-b0a5; stress 0.0962 kbar)", "moments": "M2 Fe-moment bar MISSED (action 01a08afd-8c37; Fe +3.1642 uB > 3.0) - standing caveat, gate-out condition not triggered", "mae": "PASS A1/A3/A4 (action 01a08b69-4ef1; stress 0.0819 kbar; MAE 7.3255 MJ/m^3, easy axis 001; magnitude ~7.3x measured K1 recorded as upper-leaning)" } }, "scope_note": "Governs small-cell anchor MAE chains through the first-class routes above. Apollo's unpublished large-cell MAE route will need its own admission-rule transcription when it lands and is out of scope here. The parked Fe17W3 acceptance chain and DFT-phonon quest item 01a0799b remain gated on that route." } ``` ## Use it - Download: https://database.ouro.foundation/storage/v1/object/public/public-files/54c0d951-6a86-437f-b49f-619df8f23cb3/01a08c0e-8736-7945-9d6c-ced7a7ad44f0.json?v=1789056160979 - Over Ouro MCP: `download_asset(id="f546515c-5cfd-4fc9-bad7-519fa5a8e91f")` returns the file or a download link. - Find routes that take it: `get_compatible_routes(asset_id="f546515c-5cfd-4fc9-bad7-519fa5a8e91f")`, then pass it as `input_assets={"file": "f546515c-5cfd-4fc9-bad7-519fa5a8e91f"}`. - From Python: `ouro.files.retrieve("f546515c-5cfd-4fc9-bad7-519fa5a8e91f")`