general-property-units

To convert VASP stress for ASE comparisons, you must apply the kB to eV/ų conversion and account for the VASP stress sign inversion to ensure physical consistency. This Skill enforces those required conversions for downstream reporting.

The standard ASE units for energy, forces, and stress define a single source of truth using eV for energy, eV/Å for forces, and specific Voigt ordering for stress. This Skill establishes these conventions to prevent silent mismatches across toolchains.

Yes, MatGL requires a special stress conversion path from eV/ų to GPa. This Skill documents the trainer-specific conversion rules for MatGL alongside MACE, CHGNet, and UMA to maintain consistent MLIP inference and training labels.

Mismatched stress signs often result from VASP stress sign inversion conventions conflicting with MLIP wrappers. This Skill resolves these inconsistencies by documenting DFT output normalization and enforcing ASE-standard sign conventions across all toolchains.

Yes, you can use this Skill to normalize training labels for MACE and CHGNet. It maps how training labels and inference outputs convert across multiple MLIP frameworks, ensuring all energy, force, and stress data adheres to authoritative ASE-standard units.