Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -121.5865 eV; energy change = -15.7594 eV; symmetry: P4 → P4mm
Crystal structure generated by GEPA optimization (iteration 5)
Phase diagram of MnFeNiB; e_above_hull: 0.207466 eV/atom; predicted_stable: False