Skip to article frontmatterSkip to article content
Site not loading correctly?

This may be due to an incorrect BASE_URL configuration. See the MyST Documentation for reference.

MRO

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

Orientation refinement

FIRE relaxation

stagebond mean (Å)bond σ (Å)
Voronoi2.4090.171
after orient2.4020.168
after cleanup2.4150.143
after FIRE2.4100.137

MACE-MP0 single point of the final structure: -4.998 eV/atom.

g₃ distribution — after FIRE

Bond length and angle distributions

Silicon MRO bond length distributionSilicon MRO angle distributionsSilicon MRO pairwise g(r)