Silicon dioxide¶

Silicon dioxide supercells (40 × 40 × 40 Å) across the amorphous → nanocrystalline axis, refined with MACE-MP0.

Final MACE structures¶

Energy across regimes¶

Silicon dioxide energy per atom across regimes

Summary¶

regime	atoms	orient accepts	final E (eV/atom)
Liquid	4866	0	-6.472
Amorphous	4866	62	-7.398
SRO	4866	48	-7.457
MRO	4866	23	-7.500
LRO	4866	12	-7.530
Nanocrystalline	4866	7	-7.560

Per-regime pages¶