ase==3.22.1
atomistics==0.1.12
defusedxml<=0.7.1,>=0.7.0
h5py<=3.10.0,>=3.9.0
matplotlib==3.8.2
mendeleev<=0.14.0,>=0.12.0
mp-api==0.39.0
numpy<=1.26.2,>=1.26.0
pandas<=2.1.3,>=2.0.3
phonopy==2.20.0
pint<=0.22,>=0.18
pyiron_base==0.6.11
pylammpsmpi<=0.2.9,>=0.2.7
scipy<=1.11.4,>=1.11.1
scikit-learn==1.3.2
seekpath<=2.1.0,>=1.9.5
spglib<=2.1.0,>=2.0.2
structuretoolkit==0.0.15
