BUG: Fix atom-pairs not being sorted if certain parameters are guessed

[BvB93]

cc @RobertaPascazio

[codecov]

Codecov Report

Merging #262 (4256e17) into master (e27b09a) will increase coverage by 0.03%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master     #262      +/-   ##
==========================================
+ Coverage   75.32%   75.35%   +0.03%     
==========================================
  Files          65       65              
  Lines        6958     6959       +1     
  Branches     1342     1339       -3     
==========================================
+ Hits         5241     5244       +3     
+ Misses       1382     1381       -1     
+ Partials      335      334       -1     

Impacted Files	Coverage Δ
FOX/armc/package_manager.py	72.53% <100.00%> (-1.26%)	⬇️
FOX/armc/param_mapping.py	85.61% <100.00%> (+0.94%)	⬆️
FOX/armc/sanitization.py	89.85% <100.00%> (-0.08%)	⬇️
FOX/functions/cp2k_utils.py	50.00% <100.00%> (+1.72%)	⬆️
FOX/recipes/psf.py	84.08% <0.00%> (+0.40%)	⬆️

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