Amorphous¶
A 40 Å cubic silicon dioxide supercell (~4866 atoms), fully disordered, grain-free.
silicon_dioxide_amorphous_generate.py reproduces this case.
Orientation refinement¶
MACE+wall relaxation¶
Energy¶
stage |
E (eV/atom) |
|---|---|
after orientation refinement |
-6.157 |
after cleanup |
-6.675 |
after MACE |
-7.398 |
g₃ distributions¶
After cleanup
After MACE
Bond length and angle distributions¶
