GEPA-iteration-4-v01.cif
Crystal structure generated by GEPA optimization (iteration 4)
- GEPA-iteration-4-v01.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -158.4519 eV; energy change = -46.7446 eV; symmetry: P4 → P1 1mo
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