Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -48.6986 eV; energy change = 43.8333 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 18)
Phase diagram of Fe3B; e_above_hull: 5.491019 eV/atom; predicted_stable: False