Liquid

A 40 Å cubic silicon supercell (~3068 atoms), melt (thermostatted spring-network sampling).

FIRE relaxation

stage

bond mean (Å)

bond σ (Å)

Voronoi

2.512

0.255

after orient

2.512

0.255

after cleanup

2.467

0.179

after FIRE

2.413

0.155

MACE-MP0 single point of the final structure: -4.815 eV/atom.

g₃ distribution — after FIRE

Bond length and angle distributions

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