Liquid¶
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¶