MRO¶
A 40 Å cubic silicon supercell (~3068 atoms), medium-range order.
Orientation refinement¶
FIRE relaxation¶
stage |
bond mean (Å) |
bond σ (Å) |
|---|---|---|
Voronoi |
2.409 |
0.171 |
after orient |
2.402 |
0.168 |
after cleanup |
2.415 |
0.143 |
after FIRE |
2.410 |
0.137 |
MACE-MP0 single point of the final structure: -4.998 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶
