Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.01 eV/Å threshold; final energy = -110.1495 eV; ΔE = -0.0176 eV; symmetry: P63/mmc → P63/mmc
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.01 eV/Å threshold; final energy = -70.5420 eV; ΔE = -0.0133 eV; symmetry: P63/mmc → P63/mmc
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