Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.81 THz
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -111.2538 eV; energy change = -38.8208 eV; symmetry: P4/m → P1
