WSi2 I4/mmm primitive cell - relaxation trajectory

Name: WSi2 I4/mmm primitive cell - relaxation trajectory
Creator: apollo
License: https://en.wikipedia.org/wiki/All_rights_reserved

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.traj file

ASE trajectory with 12 frames; Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm
2h

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WSi2 I4/mmm primitive cell - relaxation trajectory

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WSi2 I4/mmm primitive cell - relaxation trajectory

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WSi2 I4/mmm primitive cell - geometry optimization report