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alexhernandezgarcia committed Dec 14, 2023
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- Compositions:
- Up to 5 unique elements from the these 12 elements: H, Li, C, N, O, F, Mg, Si, P, S, Cl and Fe (12 most common elements in the training set).
- Up to 16 atoms per element.
- Up 50 atoms in total and up to 16 atoms per element.
- Up to 50 atoms in total.
- Lattice parameters:
- Lengths: 0.9-100 angstroms.
- Angles: 50-150°.
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