Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -220.9030 eV; energy change = -0.0011 eV; symmetry: P1 → P1
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -220.9043 eV; energy change = -214.4013 eV; symmetry: F-43m → P1