Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.6110 eV; energy change = -0.0702 eV; symmetry: P-6m2 → P-6m2
Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.6110 eV; energy change = -0.0702 eV; symmetry: P-6m2 → P-6m2