Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -134.3444 eV; energy change = -64.8379 eV; symmetry: P6/mmm → P1
Crystal structure generated by GEPA optimization (iteration 3)
Phase diagram of Fe12Ni3C2; e_above_hull: 0.181126 eV/atom; predicted_stable: False