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Dependencies
- ase <3.27.0,>=3.22.1
- numpy <1.27.0,>=1.26.4
- pandas <2.4.0,>=2.2.3
- pyiron-lammps ==0.4.6
- pyiron-workflow <=0.15.2,>=0.14.0
- pyiron-workflow-atomistics ==0.0.4
- pymatgen <2025.7.0,>=2024.8.8