Eqv2 support#2
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Extracts the Voigt notation to 3x3 stress matrix conversion function to a shared utility file, promoting code reuse and maintainability.
- Implement EqV2BackboneConfig and EqV2BackboneModule - Create output heads for energy, forces, and stresses, as well as arbitrary scalar graph properties - Include example notebook demonstrating usage for OMAT24 dataset
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