Mobility_for_HEAs — Fig3_MD_AC_scaling (v1.0.0)

Atomistic configurations used only for computational-complexity and scalability benchmarks of the spatial encode/decode scheme in Mobility_for_HEAs. Contents: scale directories AC-0 … AC-4 (approx. 10⁶–5×10⁷ atoms) with LAMMPS structures and/or random_coordinate.dat for source_data_for_Figure/Fig3/.These files are not the production MD inputs for FCC_NL mobility runs (see Zenodo record NiCoV_MD_AC). Unpack into: source_data_for_Figure/Fig3/data/ so that AC-0/ … AC-4/ appear as subfolders. Then run scripts under Fig3/code/ (Fig3-a,b.py, …).