GEPA-iteration-1-v02.cif
Crystal structure generated by GEPA optimization (iteration 1)
- GEPA-iteration-1-v02.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -115.6400 eV; energy change = -50.7289 eV; symmetry: P-1 → P-1 1mo
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