Amorphous¶
A 40 Å cubic strontium titanate supercell (~5130 atoms), fully disordered, grain-free.
Orientation refinement¶
FIRE relaxation¶
stage |
bond mean (Å) |
bond σ (Å) |
|---|---|---|
Voronoi |
1.965 |
0.076 |
after orient |
1.965 |
0.079 |
after cleanup |
1.938 |
0.187 |
after FIRE |
1.950 |
0.207 |
MACE-MP0 single point of the final structure: -7.004 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶
