Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -148.2208 eV; energy change = -36.5133 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 5)
Phase diagram of Fe3BN; e_above_hull: 0.640410 eV/atom; predicted_stable: False