Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -117.7422 eV; energy change = -11.9147 eV; symmetry: P4 → P4bm
Crystal structure generated by GEPA optimization (iteration 2)
Phase diagram of MnFeNiB; e_above_hull: 0.447812 eV/atom; predicted_stable: False