Fe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm) (missed expected composition: Fe16N2)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2035 eV; energy change = -0.2049 eV; symmetry: P6_3/mmc → P6_3/mmc