Liquid¶
A 40 Å cubic silicon supercell (~3068 atoms), melt (thermostatted spring-network sampling).
FIRE relaxation¶
stage |
bond mean (Å) |
bond σ (Å) |
|---|---|---|
Voronoi |
2.512 |
0.255 |
after orient |
2.512 |
0.255 |
after cleanup |
2.467 |
0.179 |
after FIRE |
2.413 |
0.155 |
MACE-MP0 single point of the final structure: -4.815 eV/atom.
g₃ distribution — after FIRE¶
Bond length and angle distributions¶