crystal_3749
crystal_3749 - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -91.9866 eV; energy change = -3.2438 eV; symmetry: P321 → P1
3mo
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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -91.9866 eV; energy change = -3.2438 eV; symmetry: P321 → P1