Update notebooks to use functions

[jan-janssen]

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💤 Files selected but had no reviewable changes (4)

• notebooks/bulk_modulus_with_gpaw.ipynb
• notebooks/free_energy_calculation.ipynb
• notebooks/lammps_workflows.ipynb
• notebooks/thermal_expansion_with_lammps.ipynb

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[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 85.31%. Comparing base (e2b80a1) to head (6cdabe2).
Report is 2 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #506   +/-   ##
=======================================
  Coverage   85.31%   85.31%           
=======================================
  Files          43       43           
  Lines        2587     2587           
=======================================
  Hits         2207     2207           
  Misses        380      380           

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