Silicon¶

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

Final MACE structures¶

Energy across regimes¶

Silicon energy per atom across regimes

Summary¶

regime	atoms	orient accepts	final E (eV/atom)
Liquid	3068	0	-4.711
Amorphous	3068	0	-4.978
SRO	3068	39	-5.037
MRO	3068	60	-5.104
LRO	3068	21	-5.138
Nanocrystalline	3068	20	-5.182

Per-regime pages¶