Phase diagram of LiFeAs with Orb v3 conservative inf MPA; e_above_hull: 0.000000 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -32.6731 eV; energy change = -0.1041 eV; symmetry: P4/nmm → P4/nmm