A 40 Å cubic silicon dioxide supercell (~4866 atoms), long-range order.
Orientation refinement¶
FIRE relaxation¶
| stage | bond mean (Å) | bond σ (Å) |
|---|---|---|
| Voronoi | 1.615 | 0.028 |
| after orient | 1.615 | 0.029 |
| after cleanup | 1.620 | 0.034 |
| after FIRE | 1.697 | 0.057 |
MACE-MP0 single point of the final structure: -7.397 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶
