SRO¶

A 40 Å cubic copper supercell (~5202 atoms), short-range order.

FIRE relaxation¶

stage	bond mean (Å)	bond σ (Å)
Voronoi	2.623	0.259
after orient	2.625	0.259
after cleanup	2.618	0.262
after FIRE	2.616	0.229

MACE-MP0 single point of the final structure: -3.882 eV/atom.

g₃ distribution — after FIRE¶

Bond length and angle distributions¶

Copper SRO bond length distribution

Copper SRO angle distributions

Copper SRO pairwise g(r)