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tree-gen-6-v06.cif

Crystal structure generated by TreeQuest optimization (file 6)

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.cif file

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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 565.6602 eV; energy change = -139.1914 eV; symmetry: I4/mmm → P1
3mo
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -183.6934 eV; energy change = -888.5450 eV; symmetry: I4/mmm → P1
3mo

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