Liquid¶
A 40 Å cubic silicon dioxide supercell (~4866 atoms), melt (Langevin MD at the melting point).
silicon_dioxide_liquid_generate.py reproduces this case.
MACE+wall relaxation¶
Energy¶
stage |
E (eV/atom) |
|---|---|
after cleanup |
-5.571 |
after MACE |
-6.472 |
g₃ distributions¶
After cleanup
After MACE
Bond length and angle distributions¶
