Amorphous

A 40 Å cubic silicon supercell (~3068 atoms), fully disordered, grain-free.

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

2.408

0.156

MACE-MP0 single point of the final structure: -4.883 eV/atom.

g₃ distribution — after FIRE

Bond length and angle distributions

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