SRO¶
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¶
