Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.1390 eV; energy change = -9.9987 eV; symmetry: I4/mcm → I4/mcm
Crystal structure generated by GEPA optimization (iteration 9)
Phase diagram of Fe2B; e_above_hull: 0.000062 eV/atom; predicted_stable: True