A 40 Å cubic silicon dioxide supercell (~4866 atoms), short-range order.
Orientation refinement¶
FIRE relaxation¶
| stage | bond mean (Å) | bond σ (Å) |
|---|---|---|
| Voronoi | 1.617 | 0.043 |
| after orient | 1.616 | 0.040 |
| after cleanup | 1.624 | 0.044 |
| after FIRE | 1.707 | 0.067 |
MACE-MP0 single point of the final structure: -7.268 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶
