GEPA-iteration-21-v01.cif
Crystal structure generated by GEPA optimization (iteration 21)
- GEPA-iteration-21-v01.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -262.2099 eV; energy change = -65.1517 eV; symmetry: P4 → P1 1mo
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