Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -70.6332 eV; energy change = -0.8867 eV; symmetry: P6_3/mmc → P6_3/mmc
Crystal structure generated by TreeQuest optimization (file 14)
Phase diagram of Fe3NiB; e_above_hull: 0.715986 eV/atom; predicted_stable: False