Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -19.8040 eV; energy change = -0.7144 eV; symmetry: Cm → R3m
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -19.8040 eV; energy change = -0.7144 eV; symmetry: Cm → R3m