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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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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6201434229026379878878333
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| 2025-04-16T17:29:28
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.259462
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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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| 2025-04-16T16:23:10
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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
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1169301496127344884448431
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| 2025-04-16T20:48:59
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.167928
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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_1169957484971481648087151
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| 2025-04-16T21:27:46
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.190316
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O2Si
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PO_1169798811716746953288952
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.469862
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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_1169705536688826949068637
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| 2025-04-16T17:48:31
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.503055
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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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[] | null | null | null | null | null | null | 8.394068
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CO_3629305779785861292521114
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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_1170026574326293448345614
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| 2025-04-16T16:08:59
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.380097
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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
| null | null | null |
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PO_1169156354474039746726242
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| 2025-04-16T20:47:27
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.08216
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[
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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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O40Si20
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PO_1168370524612874238189201
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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_1168325490142931422866536
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| 2025-04-16T21:37:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.116963
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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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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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VASP
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CO_7664233149736828011931347
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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_6231554830846861645249955
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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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PO_6223649965604491769625095
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| 2025-04-16T18:36:30
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.474171
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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
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6218382368004999728656902
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| 2025-04-16T21:27:46
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -453.211458
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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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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_6224715290197278054279639
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| 2025-04-16T18:32:26
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.817809
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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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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data/MD/5165/MD_7964639482890510039065165.json
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PO_6233130023195021492801145
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| 2025-04-16T21:52:07
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.30181
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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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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_6227881142827220509025543
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| 2025-04-16T16:26:36
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.055118
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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_6243920670441343161232043
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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_6256278858882603614713132
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| 2025-04-16T20:42:07
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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_1172059699255612031063652
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| 2025-04-17T18:48:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.866395
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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_1172084494033923272172434
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| 2025-04-16T21:37:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.85503
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DS_w2ngtxl0ep5d_0
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A2B
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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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O40Si20
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DS_w2ngtxl0ep5d_0
| 1
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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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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_1172400529649608664104562
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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_1213491915301659946887177
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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_1172556374338005950743437
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| 2025-04-16T21:57:13
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -459.109397
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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_1172971152169217501006859
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| 2025-04-16T16:08:11
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.625547
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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_1173094109535684704290679
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| 2025-04-16T21:37:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.590498
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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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CO_1198073431918432612259687
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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_1173377879293350415772782
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| 2025-04-16T15:45:10
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -459.313173
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| 2025-04-16T21:51:00
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.843148
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[] | null | null | null | null | null | null | 9.248031
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CO_9505770997218496400079715
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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_1173467777196885597252380
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| 2025-04-16T16:30:40
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.450849
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[] | null | null | null | null | null | null | 8.276755
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O40Si20
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O2Si
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A2B
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A2B
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DS_w2ngtxl0ep5d_0
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VASP
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DS_w2ngtxl0ep5d_0
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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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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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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_6257202222202686288565062
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| 2025-04-17T18:06:06
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.088004
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PO_6254532063422736064907040
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_1073915267413514725257749
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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_6261819852426535820266584
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| 2025-04-16T21:51:46
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.215319
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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
|
O2Si
|
A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6261139708703440629425851
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| 2025-04-16T16:08:11
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.415137
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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_6262413086812871838944391
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| 2025-04-16T16:08:27
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T20:19:02
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -455.570823
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[] | null | null | null | null | null | null | 9.537629
| 2.906634
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CO_1263461927550005349610708
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O40Si20
|
O2Si
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A2B
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| 2
| 0
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[
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[
"SIMPLE_NN_SiO2_8634"
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6250769330141024914210537
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| 2025-04-16T17:31:44
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.007772
|
[
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[] | null | null | null | null | null | null | 6.899254
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CO_3905199549278200725654869
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O40Si20
|
O2Si
|
A2B
|
[
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DS_w2ngtxl0ep5d_0
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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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data/MD/5165/MD_7964639482890510039065165.json
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PO_6267599845491175549579617
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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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CO_1059973851149028164030919
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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_6284041986199849461951404
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| 2025-04-16T18:26:36
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.141972
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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 | 8.616075
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CO_3862295013140990984334383
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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_1174458888326454267125982
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| 2025-04-16T15:43:59
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.72548
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[] | null | null | null | null | null | null | 8.444891
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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_1174433075309694671848851
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.086699
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[] | null | null | null | null | null | null | 6.111068
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CO_8318015313415521468048125
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O40Si20
|
O2Si
|
A2B
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[
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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