GEPA-iteration-13-v01.cif
Crystal structure generated by GEPA optimization (iteration 13)
- GEPA-iteration-13-v01.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -115.4688 eV; energy change = -37.8673 eV; symmetry: P1 → P1 1mo
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