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PO_4621286806386446643414484 | 4621286806386446643414484017633797725654524966951768902077592120667857184043685814542975010599786976640940540623294219360421300259220435463411842431850901 | 2025-04-17T17:56:16 | DS_u9wd92plbetq_0 | 1 | CASTEP | DFT-PW91 | -650.141777 | [] | [
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