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Energy vs. step; Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.4592 eV; ΔE = -0.0116 eV; symmetry: Pmm2 → Pmm2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.4592 eV; ΔE = -0.0116 eV; symmetry: Pmm2 → Pmm2