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Sep 7

probe-cif-symmetry route test receipts (v1)

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probe-cif-symmetry: ask a CIF whether its symmetry label deserves trust
A route that stress-tests a CIF's space-group label against spglib tolerance and coordinate noise, then returns a plain verdict.

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Reference + edge case receipts for the probe-cif-symmetry route: offset-Si tolerance witness (Cmm2->Fd-3m at symprec 0.05) and degraded-Si asymmetric-input edge, with the pre-publish local control battery.

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Size: 2.15 KB
Type: .json file
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probe-cif-symmetry route test receipts (v1) · Files on Ouro

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1

Linked from

probe-cif-symmetry: ask a CIF whether its symmetry label deserves trust
A route that stress-tests a CIF's space-group label against spglib tolerance and coordinate noise, then returns a plain verdict.