code: def get_cp2k_structure(atoms):
      
  
      from cp2k_tools.generator import dict2cp2k
  
      # CP2K's default unit is angstrom, convert it, but still declare it explictly:
      cp2k_cell = {sym: ('[angstrom]',) + tuple(coords) for sym, coords in zip(('a', 'b', 'c'), atoms.get_cell()*Bohr)}
      cp2k_cell['periodic'] = 'XYZ'  # anything else does not make much sense
      cp2k_coord = {
          'scaled': True,
          '*': [[sym] + list(coord) for sym, coord in zip(atoms.get_chemical_symbols(), atoms.get_scaled_positions())],
          }
  
      return dict2cp2k(
          {
              'global': {
                  'run_type': 'ENERGY_FORCE',
                  },
              'force_eval': {
                  'subsys': {
                      'cell': cp2k_cell,
                      'coord': cp2k_coord,
                      },
                  'print': {
                      'forces': {
                          'filename': 'forces',
                          },
                      },
                  },
              }
          )
docs: Convert the atoms structure to a CP2K input file skeleton string