| { |
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| "angle_tolerance": 5.0, |
| "cache_sha256": "3120b0b73a07dbdc3dd052d7cdf303d94c82c80bfd4cd83a85f826d0ada12c55", |
| "count": 27136, |
| "csv_path": "train.csv", |
| "csv_sha256": "30bdc91b445a6c6b2015dd5892628d634f0e9c294c0994ac0ef65ccf0f7cafa5", |
| "displacement_definition": "internal displacement in ideal lattice after affine basis/origin transform, Angstrom", |
| "elapsed_seconds": 152.571269930806, |
| "excluded": [ |
| "mp-1252764: ValueError: Fractional round trip exceeds 1e-06 for Z=9", |
| "mp-1281144: ValueError: Fractional round trip exceeds 1e-06 for Z=8" |
| ], |
| "format_version": 1, |
| "fractional_tolerance": 1e-06, |
| "label_agreement": 0.9999631485849056, |
| "lattice_relative_tolerance": 1e-08, |
| "libraries": { |
| "numpy": "1.26.4", |
| "pymatgen": "2024.11.13", |
| "pyxtal": "1.1.2", |
| "scipy": "1.15.3", |
| "spglib": "2.7.0", |
| "torch": "2.8.0+cu128" |
| }, |
| "limit": null, |
| "max_failures": 10, |
| "round_trip_precision": "float64 before float32 storage", |
| "seconds_per_structure": 0.005622467199690669, |
| "split": "train", |
| "strain_definition": "Frobenius norm of principal stretch minus identity", |
| "symprec": 0.1, |
| "table_sha256": "41391b3e842effac01ef334a1f2584907b5af8a91d6aca5504cf2272f8a1dec8" |
| } |
|
|
