Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of FeCoB; eabovehull: 5.129558 eV/atom; predicted_stable: False
Phase diagram of FeCoB; eabovehull: 5.754696 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -30.8541 eV; energy change = 20.5272 eV; symmetry: P4 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.7475 eV; energy change = 24.6338 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 2)
Crystal structure generated by GEPA optimization (iteration 1)
Phase diagram of Fe9NiBN; eabovehull: 0.274485 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.1070 eV; energy change = -13.0971 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 34)
Phase diagram of Fe9B2N; eabovehull: 0.313273 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.3744 eV; energy change = -19.7497 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 33)
Phase diagram of Fe8CoB2N; eabovehull: 0.367685 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -95.6671 eV; energy change = -19.6810 eV; symmetry: P1 → P1
Phase diagram of Fe9CoBN; eabovehull: 0.272683 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 32)
Phase diagram of MnFe8B2N; eabovehull: 0.208320 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -97.5855 eV; energy change = -19.6412 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 31)