Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7040 eV; energy change = -23.5480 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 20)
Phase diagram of Mn2Fe12SiNi2B; e_above_hull: 0.129655 eV/atom; predicted_stable: False