Liquid

A 40 Å cubic copper supercell (~5202 atoms), melt (thermostatted spring-network sampling).

FIRE relaxation

stage

bond mean (Å)

bond σ (Å)

Voronoi

2.759

0.363

after orient

2.759

0.363

after cleanup

2.626

0.278

after FIRE

2.641

0.301

MACE-MP0 single point of the final structure: -3.812 eV/atom.

g₃ distribution — after FIRE

Bond length and angle distributions

Copper Liquid bond length distribution Copper Liquid angle distributions Copper Liquid pairwise g(r)