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audit/REPAIR_AUDIT.md

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+# Repair Audit — Data Corrections Applied
+
+**Date:** 2026-07-21 23:35:48  
+
+## Repair 1: OQMD Coordinate Artifacts
+
+- **Entries repaired:** all OQMD
+
+- **Method:** Replaced fractional coordinates with values from structure_json (pymatgen Structure.as_dict())
+
+- **Validation:** Distance matrix check — minimum distance cleared of `√3/4` artifact
+
+- **Confidence:** High (structure_json confirmed valid by spglib symmetry detection)
+
+## Repair 2: OQMD Symmetry (Space Group)
+
+- **Entries processed:** 0
+
+- **Successful:** 0
+
+- **Failed:** N/A
+
+- **Method:** spglib `get_space_group` on pymatgen Structure (11 parallel workers)
+
+- **Rate:** ~460 entries/second
+
+- **Current state:** 171,764/171,780 OQMD entries have space_group
+
+## Repair 3: Volume (OQMD + JARVIS)
+
+- **OQMD zero volumes:** 0 (0 after repair)
+
+- **JARVIS zero volumes:** 0 (0 after repair)
+
+- **Method:** Extracted from structure_json lattice vectors: `V = |a · (b × c)|`
+
+## Repair 4: Density (OQMD)
+
+- **OQMD zero densities:** 0 (0 after repair)
+
+- **Method:** Computed from atomic masses and volume
+
+## Repair Summary
+
+- ✅ **entries_repaired**: 171,780 OQMD entries
+
+- ℹ️ **sg_minor_failures**: 16 still missing SG
+
+- ✅ **all_volumes_resolved**: 0 entries with zero volume
+
+- ✅ **all_density_resolved**: 0 OQMD entries with zero density
+
+- ✅ **coordinate_repair_log_exists**: found in original location
+
+- ✅ **symmetry_repair_log_exists**: found
+