Interstitially doped with C at ~5.0%; supercell [1, 1, 1]; dopant atoms = 1
Ggen exploration (explorationCo-Fe-Mn20260103_082846)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -176.5365 eV; energy change = -3.9373 eV; symmetry: Pm → Pmmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -176.5365 eV; energy change = -3.9372 eV; symmetry: Pm → Pmmm