Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -74.5608 eV; energy change = -0.0575 eV; symmetry: P-1 → P-1
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -73.2418 eV; energy change = -0.0633 eV; symmetry: P-1 → P-1