Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -253.9843 eV; energy change = -337.9708 eV; symmetry: Pmn2_1 → P2_1
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -253.9836 eV; energy change = -337.9755 eV; symmetry: Pmn2_1 → P2_1