Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -158.2206 eV; energy change = -46.5132 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 6)
Phase diagram of Fe3BN; e_above_hull: 0.663379 eV/atom; predicted_stable: False