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Copper

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

Final MACE structures

Energy across regimes

Copper energy per atom across regimes

Summary

regimeatomsorient acceptsfinal E (eV/atom)
Liquid52020-3.825
Amorphous52020-3.974
SRO52021-3.980
MRO52022-3.997
LRO52024-4.015
Nanocrystalline52025-4.035

Per-regime pages