GEPA-iteration-3-v02.cif
Crystal structure generated by GEPA optimization (iteration 3)
- GEPA-iteration-3-v02.cif - relaxed 1.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9890 eV; energy change = -3.1133 eV; symmetry: P1 → P1 1mo
- GEPA-iteration-3-v02.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -164.9875 eV; energy change = -3.1116 eV; symmetry: P1 → P1 1mo
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