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Mn2Fe6BiN (P4/mmm) - energy curve

Name: Mn2Fe6BiN (P4/mmm) - energy curve
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Energy vs. step; Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1

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Mn2Fe6BiN (P4/mmm) - geometry optimization report
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Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1
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