Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -121.2345 eV; energy change = 0.0000 eV; symmetry: Fm-3m → Fm-3m
Crystal structure generated by TreeQuest optimization (file 6)
Phase diagram of Fe2CoSi; e_above_hull: 0.135355 eV/atom; predicted_stable: False