A 40 Å cubic silicon dioxide supercell (~4866 atoms), melt (thermostatted spring-network sampling).
FIRE relaxation¶
| stage | bond mean (Å) | bond σ (Å) |
|---|---|---|
| Voronoi | 1.639 | 0.169 |
| after orient | 1.639 | 0.169 |
| after cleanup | 1.664 | 0.089 |
| after FIRE | 1.678 | 0.133 |
MACE-MP0 single point of the final structure: -6.559 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶
