Exploit ATAT potential with already performed calculations

Alloy Theoretic Automated Toolkit (ATAT)
1

Short question (below all the details):
I hope to ask the proper question in the proper manner, I apologise otherwise.

It is possible to use ATAT to analyse within CE a set of already performed DFT calculations?

Long Version:

Dear all, I apologize if I misunderstood the whole scope of CE and ATAT.

We recently performed some calculations on oxide alloys. The system we are interested in is quite complex and include organic molecules that reduce the total symmetry of the unit cell.
Nonetheless we ended up with some tricks that allowed us to reduce the configuration space size, and perform some typical statistics on our DFT energies with positive results.

In the processes we created a large amount of data, and we got interested in CE.
We already generated and calculate a large set of 50+ (each) supercells structures for three different solid solutions with basic formula ABC_{0.5}D_{0.5}. Other than those we also have results for the pure compounds ABC and ABD, and we could afford few structures with different stoichiometry.

Is it possible to use ATAT to analyse those data in order to build a CE model?
I hope I had been clear,
have a nice Christmas holiday.

2

Yes, maps can ready a set of calculation outputs that was generated by another program.
Excerpt from the ATAT FAQ at https://www.brown.edu/Departments/Engine … de111.html :

Q. I already have structures and energies. What if I just want to fit them?

A. You need a lat.in files to specify the geometry of the lattice and you need to create one subdirectory for each structure (name them as you which). In each subdirectory, you need a str.out file to specify the geometry of the structure and an energy file to indicate the energy of that structure. For the format of those files, type maps -h | more. Note that the energy must per unit cell of the structure (not the lattice).