Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -18.4306 eV; energy change = -0.0327 eV; symmetry: P-3m1 → P-3m1
WSe2 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)