Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -262.2099 eV; energy change = -65.1517 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 21)
Phase diagram of Fe6BN; e_above_hull: 0.327270 eV/atom; predicted_stable: False