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Amorphous

A 40 Å cubic silicon dioxide supercell (~4866 atoms), fully disordered, grain-free.

Orientation refinement

FIRE relaxation

stagebond mean (Å)bond σ (Å)
Voronoi1.6170.049
after orient1.6170.044
after cleanup1.6300.054
after FIRE1.6950.073

MACE-MP0 single point of the final structure: -7.205 eV/atom.

g₃ distribution — after FIRE

Bond length and angle distributions

Silicon dioxide Amorphous bond length distributionSilicon dioxide Amorphous angle distributionsSilicon dioxide Amorphous pairwise g(r)