Nanocrystalline¶
A 40 Å cubic silicon dioxide supercell (~4866 atoms), large crystalline grains with amorphous boundaries.
Orientation refinement¶
FIRE relaxation¶
stage |
bond mean (Å) |
bond σ (Å) |
|---|---|---|
Voronoi |
1.615 |
0.026 |
after orient |
1.615 |
0.024 |
after cleanup |
1.618 |
0.029 |
after FIRE |
1.697 |
0.058 |
MACE-MP0 single point of the final structure: -7.416 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶
