Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -143.7049 eV; energy change = -23.5489 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 12)
Crystal structure generated by GEPA optimization (iteration 11)
Crystal structure generated by GEPA optimization (iteration 10)
Phase diagram of MnFe4Co2NiBCN; eabovehull: 0.362363 eV/atom; predicted_stable: False
Phase diagram of MnFe4Co2NiBCN; eabovehull: 0.362399 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 9)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -86.2767 eV; energy change = -13.5414 eV; symmetry: P1 → P1
Phase diagram of Fe6Co3SiNi3B; eabovehull: 0.191673 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -86.2763 eV; energy change = -13.5410 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -86.2766 eV; energy change = -13.5413 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -86.2765 eV; energy change = -13.5412 eV; symmetry: P1 → P1
Phase diagram of Fe5Co2SiBN; eabovehull: 3.099786 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 8)
Crystal structure generated by GEPA optimization (iteration 8)
Crystal structure generated by GEPA optimization (iteration 6)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -101.9291 eV; energy change = -32.4261 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 5)
Crystal structure generated by GEPA optimization (iteration 4)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -63.9725 eV; energy change = 22.8926 eV; symmetry: P1 → P1