Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -19.0947 eV; energy change = -0.0457 eV; symmetry: P3m1 → P3m1
Chemeleon generated TiSeS crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: hexagonal)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz