Interstitially doped with C at ~1.0%; supercell [3, 3, 3]; dopant atoms = 3
Ggen exploration (explorationCo-Fe-Mn20260103_082846)
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -2648.0864 eV; energy change = -32.1858 eV; symmetry: P1 → P1