Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -59.2814 eV; energy change = -0.0025 eV; symmetry: P4/mmm → P4/mmm