Amorphous¶
A 40 Å cubic copper supercell (~5202 atoms), fully disordered, grain-free.
copper_amorphous_generate.py reproduces this case.
MACE+wall relaxation¶
Energy¶
stage |
E (eV/atom) |
|---|---|
after cleanup |
-3.880 |
after MACE |
-3.974 |
g₃ distributions¶
After cleanup
After MACE
Bond length and angle distributions¶
