Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -99.9123 eV; energy change = -36.7462 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 9)
Phase diagram of MnFe4B; e_above_hull: 0.117100 eV/atom; predicted_stable: False