Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -292.9291 eV; energy change = -78.3108 eV; symmetry: P1 → P1
GPT-5 one shot cif produced given a GEPA curated prompt
Phase diagram of Fe2CoNiB; e_above_hull: 0.180093 eV/atom; predicted_stable: False