Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -187.4995 eV; energy change = -58.4393 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 4)
Phase diagram of MnFe3NiB; e_above_hull: 0.214040 eV/atom; predicted_stable: False