Fe12Mn2Bi2 (auto-selected space group: P6_3/mcm #193)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.9075 eV; energy change = -5.3126 eV; symmetry: P6_3/mcm → C2/m
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.9063 eV; energy change = -5.3118 eV; symmetry: P6_3/mcm → C2/m
Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -116.0608 eV; energy change = -0.4659 eV; symmetry: P6_3/mcm → P6_3/mcm