{"submission_id":"b89aa062-3a00-4be4-9224-258ad9f9ec41","submission_revision_id":"d3e96271-4487-4528-ab57-ff16f8c7718c","revision_version":3,"submission_status":"under_review","submitted_at":"2026-09-23T08:46:44.675990Z","submitter_name":"Yangjunfeng Zhu","submitter_email":"zhuyangjunfeng@gmail.com","task":{"status":"submitted","version":3,"extra_fields":{"difficulty_self_test":{"model":"GPT-5.6","harness":"Codex","estimated_score":"<1%"}},"submitted_at":"2026-09-23T08:46:44.675990+00:00","industry_domain":"Computational Materials Science","task_short_name":"nickelate_structure_screening","operating_system":"Linux","task_description":"Screen a folder of A–Ni–O structures for a materials study. Read screening_spec.md before classifying the CIF, VASP, and POSCAR files. Count RP_n2_327, RP_n3_4310, RP_other, and 112_infinite as target hits; exclude the other four classes. Use the stated periodic Ni–O geometry rules, not Ni valence, to decide the class. Calculate each formula and average Ni valence from the original occupancies. Deliver a reusable screen.py, complete results.csv (file, formula, class, ni_valence, note), and a short report.md. The report must name every hit and exclusion, explain representative geometry, list priority candidates, and include the JSON block specified in screening_spec.md. The script must accept another folder with renamed or reordered structures. Do not modify the inputs.","software_licensing":"Free/Open Source","evaluation_criteria":null,"verification_method":"Require all three deliverables and the full public file set. Independently check public Ni valence from the original structures, then rerun screen.py on public files and 40 neutrally renamed hidden structures. Compare every hidden class and Ni valence with the frozen labels (valence tolerance 0.1); every hidden formula must be chemically equivalent to its reference formula. Check that the report’s hits, exclusions, representative reasons, and priority list agree with results.csv. The reward stays 0/1: the frozen class/valence threshold is 0.997, every diagnostic class slice must agree, and any formula failure makes the reward zero. Malformed files, missing rows, inconsistent public reruns, or a failed hidden rerun also fail. The evaluator runs submitted code under a separate unprivileged UID and reports an infrastructure error, not a candidate zero, if that isolation is unavailable.","software_and_version":"Python 3.12, pymatgen 2024.8.9, NumPy","specific_requirements":null,"expected_completion_time":null},"files":[{"file_id":"e37d00c3-4d53-4091-bc60-2a37e6aa9e13","filename":"nickelate_screening_input_reviewloop_v2_20260923.zip","category":"input_materials","content_type":"application/zip","size_bytes":49446},{"file_id":"da5a9adf-7dfa-477d-bc45-8737a70816b1","filename":"nickelate_screening_reference_eval_reviewloop_v2_20260923.zip","category":"reference_output","content_type":"application/zip","size_bytes":72242}],"deep_review":{"overall_verdict":"Borderline Accept","review_text":"**Overall Verdict:** Borderline Accept — The task is complete and internally consistent, but production evaluation remains conditional because its required UID/container isolation has not been confirmed on the official evaluator host.\n\n**Completeness Check:**\n- Instruction: Complete — The eight classes, geometric thresholds, precedence, occupancy handling, formula rules, valence conventions, deliverables, and report schema are explicit.\n- Inputs: Complete — The input archive contains the specification, runtime definition, and 38 readable structures: 37 CIF and one VASP.\n- Toolchain: Complete — Python 3.12, pymatgen 2024.8.9, and NumPy are legally obtainable and defined in the supplied project configuration.\n- Reference output: Complete — The package contains a reusable reference script, a five-column 38-row CSV, a consistent report, 40 hidden structures, frozen labels, provenance notes, and evaluator assets.\n- Rubric: Complete — Deterministic gates cover deliverable presence, schema, public consistency, independent public valence checks, isolated reruns, hidden classes and valences, formula equivalence, diagnostic slices, and the binary threshold.\n\n**File and Task Reachability:**\nThe attachment set is `reachable`; the end-to-end task is `conditionally_reachable`. I inspected `nickelate_screening_input_reviewloop_v2_20260923.zip` and `nickelate_screening_reference_eval_reviewloop_v2_20260923.zip`, including `screening_spec.md`, `pyproject.toml`, every public and hidden CIF/VASP structure, `screen.py`, `results.csv`, `report.md`, evaluator source, runtime requirements, labels, anchors, provenance, and task metadata. No content was left unreviewed. Both unencrypted ZIPs matched their manifest byte counts, passed integrity checks, and contained only regular files and directories without traversal, links, devices, or excessive expansion. Content was readable ASCII or UTF-8 Markdown, TOML, CSV, JSON, Python, CIF, and VASP data.\n\nIndependent non-executing reconstruction matched all 78 class labels and all occupancy-based formulas and Ni valences. All 15 VASP files had coordinate counts consistent with their species counts. The report correctly covers four hits and 34 exclusions, and its priority and representative-reason entries agree with the CSV. Solver-visible inputs are separated from hidden labels and evaluator-only references. An executable replay was unavailable in the review environment, which is a reviewer-tooling limitation; the supplied runtime document additionally states that the required root-in-Linux-container, `NoNewPrivs`, and separate-UID evaluator boundary has not yet been verified on the official host. If that boundary is absent, evaluation fails as infrastructure rather than producing a score.\n\nLicense keys, accounts, tokens, and other credentials are not required from the contributor. Confidential, proprietary, or internal material may be evaluated as submitted evidence without requiring additional disclosure.\n\n**Special Screening:**\nNone\n\n**Recommended Changes:**\nThe scientific inputs, reference labels, deliverable contract, and scoring logic are otherwise ready. Before production use, demonstrate an official-host replay satisfying the documented isolation boundary, including inaccessible private references and separate unprivileged UIDs for public and hidden runs. If the host cannot provide that boundary, replace the candidate-execution mechanism with a supported sandbox and document the validated configuration.","reviewed_at":"2026-09-23T09:01:20.838163Z"},"claim":null}