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int32 | nelements
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string | configuration_metadata_path
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1040622400703603223207916
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| 2025-04-16T21:37:17
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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 | 6.692502
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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_1041021565529680593124524
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| 2025-04-16T17:31:44
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.054653
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DS_w2ngtxl0ep5d_0
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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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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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data/MD/5165/MD_7964639482890510039065165.json
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PO_1041593727956629936499344
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| 2025-04-16T21:13:01
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.716889
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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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PO_1041845349399120829907116
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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
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_5435686132806530822223855
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| 2025-04-16T21:43:16
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.902854
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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 | 7.769197
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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_5431588751905689940021865
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| 2025-04-16T16:55:24
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.440235
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[
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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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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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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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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
|
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
| -456.780198
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -460.387529
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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_5447640177336959945835997
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| 2025-04-16T21:22:14
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.28241
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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_5445957269363941261715416
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| 2025-04-16T18:26:34
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.370303
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| 2025-04-17T17:56:16
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DS_w2ngtxl0ep5d_0
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VASP
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T20:11:48
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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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CO_3042357239619893835064868
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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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| 2025-04-16T16:45:11
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.355672
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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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| 2025-04-16T20:58:52
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -459.60578
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DS_w2ngtxl0ep5d_0
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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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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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| 2025-04-16T20:33:59
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.432527
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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_1042294162171612556151125
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| 2025-04-16T15:43:58
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.506136
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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_1100386427866446802411068
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.673216
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O40Si20
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O2Si
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A2B
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PO_1042078834637137919888908
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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 | 6.82728
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CO_1523918348901525732301430
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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_1100613512917457201311858
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| 2025-04-16T15:18:43
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -459.674553
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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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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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[
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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
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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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| 2025-04-16T16:23:41
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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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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_1101318659505397215410358
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| 2025-04-16T16:07:34
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.252689
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_2732348507308620683403681
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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_1102227819341286636984059
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| 2025-04-16T15:44:05
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.297169
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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_1101675513737951442960736
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| 2025-04-16T15:40:09
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.073737
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O40Si20
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PO_1101760529208087146105298
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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 | 9.051381
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CO_1264310574465371701727530
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_1101716596065091333091798
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| 2025-04-16T20:40:51
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.679962
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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_1102417116110358333127769
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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
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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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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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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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| 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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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_5462424191674200935185842
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| 2025-04-16T17:23:23
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.279406
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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_5466983795424025565145228
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| 2025-04-16T15:44:05
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.054317
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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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data/MD/5165/MD_7964639482890510039065165.json
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PO_5472581800018646089678313
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| 2025-04-16T16:22:41
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.753147
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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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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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DFT-PBE
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O40Si20
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O2Si
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A2B
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| 2025-04-16T17:50:51
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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
| 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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O40Si20
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O2Si
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A2B
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PO_1042688216848196248374668
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| 2025-04-16T20:16:51
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.15449
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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
| null | null | null |
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PO_1042795497204258576989403
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| 2025-04-16T18:58:19
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.006357
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[] | null | null | null | null | null | null | 7.648335
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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_1042730607381616478001322
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DS_w2ngtxl0ep5d_0
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VASP
|
DFT-PBE
| -456.614348
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[] | null | null | null | null | null | null | 10.232037
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CO_1279336689756611278683144
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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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