Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.4315 eV; energy change = -14.6041 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of MnFeNiB; e_above_hull: 0.279613 eV/atom; predicted_stable: False