Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.1333 eV; energy change = -0.0415 eV; symmetry: Pccm → Pccm
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -359.2896 eV; energy change = -2.6383 eV; symmetry: Pm → Pm