Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -99.4649 eV; energy change = -23.9336 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 30)
Phase diagram of Fe9NiBN; eabovehull: 0.237301 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.5528 eV; energy change = -18.8668 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 29)
Phase diagram of Fe9NiBN; eabovehull: 0.256711 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.3207 eV; energy change = -14.1345 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 28)
Phase diagram of MnFe9BN; eabovehull: 0.234126 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -99.7666 eV; energy change = -17.5099 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 27)
Phase diagram of Fe9CoB2; eabovehull: 0.181723 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -96.4109 eV; energy change = -20.2914 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 26)
Phase diagram of Fe8NiBN; eabovehull: 0.246310 eV/atom; predicted_stable: False
Phase diagram of Fe7NiBN; eabovehull: 0.258143 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -88.2593 eV; energy change = -15.9602 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 25)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -79.9534 eV; energy change = -17.8352 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 24)