Fe14Bi2S (auto-selected SG: P6/m #175, calculated SG: P31m #157, optimized: 157 steps, cell relaxed (isotropic))
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -125.4837 eV; energy change = -0.0003 eV; symmetry: P31m → P31m