DFT-based Monte Carlo Trajectories for Surface Segregation of Disordered FCC AuCuPd Alloys

A zip file containing 600 subfolders named as "mc_run_$idx"". Each subfolder contains an "analysis.json" and "run_state.json" containing an analysis of the surface segregation output and describing the simulation (the composition of the bulk slab, whether the simulation encountered any errors, etc). Optionally also includes a "job.out" with job logs.