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int32 | nelements
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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| 2
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_4752707536749275812955417
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| 2025-04-16T16:09:44
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -459.702359
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4760786308847212983290961
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| 2025-04-16T21:09:01
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -460.748078
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 9.477069
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CO_2074272091122112141507802
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1066600513807981418451438
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| 2025-04-17T17:45:49
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.050244
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1066955958822169038909669
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| 2025-04-16T18:31:36
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.409191
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1066897252068134778421795
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| 2025-04-16T17:41:26
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.379367
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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| 2025-04-16T21:23:51
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_5074700304315751061208095
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1067503450170025924975981
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| 2025-04-16T21:09:01
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.865509
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1024343215037592254420396
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| 2025-04-16T21:12:08
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.648287
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1024453179327308877537993
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| 2025-04-16T21:23:51
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.127067
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1024064131080853781520221
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| 2025-04-16T16:09:51
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.838778
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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PO_4770575494641652196195254
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| 2025-04-16T16:45:20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4758969152102837216958979
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| 2025-04-16T17:21:42
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.069532
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4759350523147024601951285
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| 2025-04-16T21:12:41
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.63532
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4761068118523608974271277
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| 2025-04-16T16:51:35
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.978056
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4765686943663339447072674
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| 2025-04-16T15:44:29
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.190462
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
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VASP
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4764010614358580021679531
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.549908
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4791496284059294841634362
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| 2025-04-16T21:22:14
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4775061643379203177939230
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| 2025-04-16T18:40:35
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.06967
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_4779276497915825857001329
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| 2025-04-17T18:16:17
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -454.974309
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O40Si20
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O2Si
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A2B
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PO_4779138821363658393209662
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| 2025-04-16T18:45:06
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 6.561838
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CO_4405934324481020493080300
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O40Si20
|
O2Si
|
A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_4779555783097597308314124
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| 2025-04-16T19:05:33
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.251613
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[
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| 2025-04-16T16:42:03
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.360054
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[] | null | null | null | null | null | null | 6.550018
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O40Si20
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O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1025074912174011445001920
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| 2025-04-16T19:57:19
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.877751
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[] | null | null | null | null | null | null | 8.068519
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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A2B
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| 2025-04-16T17:33:30
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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PO_1069834899264656422108517
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1069791890445083384709911
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| 2025-04-16T18:54:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.202054
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1069942008978615469442050
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| 2025-04-16T18:52:57
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.392093
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1025246446965247221493814
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| 2025-04-16T21:30:02
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -459.530198
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T16:28:27
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.228195
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T15:44:13
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.672338
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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O2Si
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PO_1069566721261972014639746
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 7.075692
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CO_5081725125481950880771155
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1068654169820838817187203
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| 2025-04-16T16:09:54
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.912562
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1068412228913223629971852
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| 2025-04-16T16:09:58
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.356332
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[] | null | null | null | null | null | null | 7.446921
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1068427546540735397139844
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DS_w2ngtxl0ep5d_0
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VASP
|
DFT-PBE
| -458.293913
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[] | null | null | null | null | null | null | 9.145483
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CO_9718953586574575898505631
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O40Si20
|
O2Si
|
A2B
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[
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| 2
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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