Fig. 3: Visualization of two crystal structures relaxed by DeepRelax.

a Sr₄Mn₂O₆ and (b) Ba₁Mn₄O₈, where a, b, and c are lattice constants in angstroms (Å), and α, β, and γ are angles in degrees (^∘). The results demonstrate close agreement between DeepRelax-predicted structures and DFT-relaxed structures.