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[
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PO_1221049900290045413828446 | 12210499002900454138284468332692819407302180551679359973599972915277789302167304733969473009513442476675342129975304079461425979437638745706038657579959824 | 2025-04-16T20:24:25 | DS_ok9dbnj53zih_0 | 1 | Quantum ESPRESSO | DFT-PBE | null | [] | [] | null | null | null | null | -5.695029 | null | null | null | null | CO_1990351459932329347053635 | 1990351459932329347053635429537041831017827766519922897070042453269976360806566470071134317933146712656443400798228036214621500282670767874280590965090098 | 7242330229701213537374367982880782693964832040873526508568597778723339130545547826080492891374652230396298433717088287856184541481206508202573409856015102 | [
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[
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true,
true,
true
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[
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true,
true,
true
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[
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true,
true,
true
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