Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -80.1111 eV; energy change = -22.0417 eV; symmetry: Pnma → P1
Crystal structure generated by TreeQuest optimization (file 27)
Phase diagram of FeNiB; e_above_hull: 0.435005 eV/atom; predicted_stable: False