Phase diagram of Fe8NiB2N; eabovehull: 0.273617 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -82.5467 eV; energy change = -16.2844 eV; symmetry: P1 → C2
Phase diagram of Fe7CoBN; eabovehull: 0.270803 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 17)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -99.4014 eV; energy change = -24.0962 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -95.3498 eV; energy change = -23.0994 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -81.2847 eV; energy change = -18.3185 eV; symmetry: P1 → Pm
Crystal structure generated by GEPA optimization (iteration 16)
Crystal structure generated by GEPA optimization (iteration 15)
Crystal structure generated by GEPA optimization (iteration 14)
Phase diagram of Fe10CoN; eabovehull: 0.142249 eV/atom; predicted_stable: False
Phase diagram of Fe10CoN; eabovehull: 0.142244 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.7186 eV; energy change = -17.6169 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.7184 eV; energy change = -17.6168 eV; symmetry: P1 → P1
Phase diagram of Fe8Co2BN; eabovehull: 0.365150 eV/atom; predicted_stable: False
Phase diagram of Fe8CoBN; eabovehull: 0.289665 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 13)
Phase diagram of Fe8CoBN; eabovehull: 0.289667 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 12)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -95.3607 eV; energy change = -18.1101 eV; symmetry: P1 → P1