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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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PO_6704871062329849998595341 | 670487106232984999859534169905322272400477341844091249751397022473105665929431909972145475872028240786647309123870885490542060613879561945120238781711333 | 2025-04-16T21:13:40 | DS_kvjft3au55qb_0 | 1 | Quantum ESPRESSO | DFT-PBE | -19,074.136473 | [
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[
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[
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