Figure out how to represent SQS Slabs

[Azeezakinyemi999]

Currently, the code cannot handle Sqs slab the same way it is doing it for the seed HastelloyN

I think i might have figured this out.

I need to ignore the idea of getting an SQS slab from a bulk strucuture but instead do the following

• 1. Create a base metal slab (that could be Fe or Ni; but it is going to be Nickel in our case) and save it in a compartible format for mcsqs and ATAT. I used .vasp [done]
• 2. Take the slab into simplysqs and follow the complete workflow to generate ATAT (mcsqs) input file. [done]
• 3. Take the input file (possibly with 5 parallel structures) and run ATAT(mcsqs) optimization to generate the bestsqs structure [in progress]
• 4. Modify the MLMD structure generation script structure.py to handle bestsqs slab and bulk separately [not yet]