Crystal structure generated by GEPA optimization (iteration 11)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -89.2388 eV; energy change = -17.5633 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -89.2395 eV; energy change = -17.5639 eV; symmetry: P1 → P1
Phase diagram of Fe10CoB2N; eabovehull: 0.227037 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 10)
Crystal structure generated by GEPA optimization (iteration 9)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -113.7776 eV; energy change = -22.1339 eV; symmetry: P1 → P1
Phase diagram of Fe8CoBN2; eabovehull: 0.312802 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 8)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.3591 eV; energy change = -21.0862 eV; symmetry: P1 → P1
Phase diagram of Fe4BN; eabovehull: 0.380156 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 7)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -98.0484 eV; energy change = -25.9754 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 6)
Phase diagram of Fe4Co4BN; eabovehull: 0.322915 eV/atom; predicted_stable: False
Phase diagram of Fe4Co4BN; eabovehull: 0.322926 eV/atom; predicted_stable: False
Phase diagram of Fe4Co4BN; eabovehull: 0.322976 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -77.0139 eV; energy change = -21.1359 eV; symmetry: P1 → Cm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -77.0139 eV; energy change = -21.1359 eV; symmetry: P1 → Cm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -77.0141 eV; energy change = -21.1361 eV; symmetry: P1 → Cm