Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -19.8038 eV; energy change = -0.7142 eV; symmetry: Cm → R3m
Chemeleon generated FeBiN crystal (space group: Cm #8, crystal system: monoclinic, point group: m)
Supercell 2x2x2 of FeBiN (Space group: R3m, 48 symmetry operations)