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data/MD/6439/MD_7488225288330586926136439.json
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PO_1000276734518170544891649
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| 2025-04-16T18:29:13
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DS_cgjdk1e2txjy_0
| 1
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PWmat
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DFT-PBE
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DS_cgjdk1e2txjy_0
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DS_cgjdk1e2txjy_0
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DS_cgjdk1e2txjy_0
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DS_cgjdk1e2txjy_0
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| 2025-04-17T17:56:16
|
DS_cgjdk1e2txjy_0
| 1
|
PWmat
|
DFT-PBE
| -451,692.8928
|
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DS_cgjdk1e2txjy_0
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PWmat
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DS_cgjdk1e2txjy_0
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DFT-PBE
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DS_cgjdk1e2txjy_0
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C2H6O
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C2H6O
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A6B2C
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DS_cgjdk1e2txjy_0
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CH4
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A4B
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DS_cgjdk1e2txjy_0
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PO_4923652277199390849485236
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| 2025-04-16T17:31:44
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DS_cgjdk1e2txjy_0
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PWmat
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DFT-PBE
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PO_4923032112434310354385015
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4923032112434310354385015782320559417136617958817836679263199908896990414068356672382615912678959703728273321275079098994893718065585993904934544798395241
| 2025-04-16T20:36:09
|
DS_cgjdk1e2txjy_0
| 1
|
PWmat
|
DFT-PBE
| -451,675.6328
|
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| null | null | null | null | null | 3.380893
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DS_cgjdk1e2txjy_0
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