⚡ Bolt: Fast EXYZ Metadata Parsing

[alinelena]

💡 What: Created a new utility function read_extxyz_info_fast in ml_peg/analysis/utils/utils.py to quickly extract metadata from Extended XYZ files without parsing atom positions. Implemented this optimization in the Wiggle150 analysis benchmark script.
🎯 Why: ase.io.read parses the full atomic structure, which is extremely expensive when we only need the metadata (e.g. energies) located on the second line of the .xyz files for simple extraction and metric calculation.
📊 Impact: This speeds up info metadata reading by approximately ~6-7x, significantly reducing the bottleneck for iteration-heavy benchmarking and data-aggregation tasks.
🔬 Measurement: Run local benchmarking comparing ase.io.read(path).info vs. read_extxyz_info_fast(path) on an .xyz file. Passed full test suite (uv run pytest tests/) and linter (uv run ruff check).

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PR created automatically by Jules for task 16069877508202070340 started by @alinelena

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[ElliottKasoar]

We could consider this, but it doesn't seem terribly robust, and doesn't solve reading files with multiple structures.

On a related note, we could try to support https://github.com/libAtoms/extxyz