Output constituent strain energy after cluster expansion

Alloy Theoretic Automated Toolkit (ATAT)
1

Dear Prof. van de Walle and ATAT users,
I’ve done a cluster expansion with the constituent strain energy using maps -p=cs option.
I wonder if ATAT can output the constituent strain energy for a specific structure, i.e. the strain energy part of the fitting results in mixed-space CE.
What I have in mind is similar to Fig. 3(a) in [Sanati, M., L. G. Wang, and Alex Zunger. "Adaptive crystal structures: CuAu and NiPt." Physical Review Letters 90.4 (2003): 045502].

Thank you!

2

Easy: In the files refine.c++ and mrefine.c++ uncomment the line:

      // cout << str->label << " " << (*penergy)(i_str) << endl; // trace info, if needed;

and, of course, recompile, etc.