Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.5528 eV; energy change = -18.8668 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 29)
Phase diagram of Fe9NiBN; e_above_hull: 0.237301 eV/atom; predicted_stable: False