Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -129.5889 eV; energy change = -1.8016 eV; symmetry: R3m → Fm-3m
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -40.8631 eV; energy change = 7.9260 eV; symmetry: P-1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.9208 eV; energy change = 5.8683 eV; symmetry: P-1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -129.5883 eV; energy change = -1.8011 eV; symmetry: R3m → Fm-3m
Crystal structure generated by GEPA optimization (iteration 11)
Crystal structure generated by GEPA optimization (iteration 9)
Crystal structure generated by GEPA optimization (iteration 10)
Crystal structure generated by GEPA optimization (iteration 8)
Crystal structure generated by GEPA optimization (iteration 7)
Phase diagram of MnFe(Si4Ge)6; eabovehull: 0.206201 eV/atom; predicted_stable: False
Phase diagram of MnFe(Si4Ge)6; eabovehull: 0.206201 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -342.1569 eV; energy change = -0.9922 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -342.1566 eV; energy change = -0.9924 eV; symmetry: P1 → P1
Phase diagram of MnFe(SiGe)15; eabovehull: 0.166005 eV/atom; predicted_stable: False
Phase diagram of MnFe(SiGe)15; eabovehull: 0.166005 eV/atom; predicted_stable: False
Crystal structure generated by GEPA optimization (iteration 6)
Crystal structure generated by GEPA optimization (iteration 5)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9890 eV; energy change = -3.1133 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9886 eV; energy change = -3.1129 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9875 eV; energy change = -3.1116 eV; symmetry: P1 → P1