LRO¶

A 40 Å cubic silicon supercell (~3068 atoms), long-range order.

FIRE relaxation¶

stage	bond mean (Å)	bond σ (Å)
Voronoi	2.396	0.155
after orient	2.399	0.155
after cleanup	2.405	0.132
after FIRE	2.398	0.125

MACE-MP0 single point of the final structure: -5.044 eV/atom.

g₃ distribution — after FIRE¶

Bond length and angle distributions¶

Silicon LRO bond length distribution

Silicon LRO angle distributions

Silicon LRO pairwise g(r)