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float64 | mean_force_norm
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list | chemical_formula_hill
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int32 | nelements
int32 | nperiodic_dimensions
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PO_4966869266928051697577721
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| 2025-04-16T16:51:35
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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 | 5.922578
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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_4932147399462913462461864
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| 2025-04-16T16:28:49
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -455.978162
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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_4941557996060738231854024
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| 2025-04-16T21:21:56
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.728602
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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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| 2025-04-16T16:25:26
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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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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_4970792714696847117110265
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| 2025-04-16T17:13:46
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.387358
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_1055637441170403799661212
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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_4971113353087634701327993
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| 2025-04-16T18:45:26
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.434035
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O40Si20
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O2Si
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PO_1008237347643968793910687
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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 | 8.58517
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CO_1254194473164852908646411
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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_1008209730944185880871169
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| 2025-04-16T20:18:47
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.781812
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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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[] | null | null | null | null | null | null | 6.710409
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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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| 2025-04-16T21:37:22
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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 | 9.534234
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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_1008533747247772783683164
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| 2025-04-16T18:57:59
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.954805
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[] | null | null | null | null | null | null | 6.687217
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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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O40Si20
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O2Si
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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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O2Si
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A2B
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| 2025-04-16T17:56:28
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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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O40Si20
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PO_1006757132884017032746576
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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_1006726072923042039708220
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| 2025-04-16T17:49:49
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.058791
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PO_1007003343750052281809534
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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_1007004938407409567825241
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| 2025-04-16T18:03:13
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.064789
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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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| 2025-04-16T21:30:02
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.199152
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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_1008091682963352207420117
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| 2025-04-16T20:29:44
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.817306
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[
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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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PO_1008184674034517070316154
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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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PO_1008176822031212551634748
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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_1008160352126938847017543
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| 2025-04-16T21:31:28
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.335561
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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_1009379209033300057728259
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_5457907492086433191764665
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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_1009422632346499574995802
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| 2025-04-16T22:03:29
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.052604
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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_1009614900749235699255209
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| 2025-04-16T18:39:28
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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_1009612749975986327369611
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| 2025-04-16T16:29:45
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.632561
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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
| null | null | null |
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PO_4979748926084661557662076
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| 2025-04-17T18:16:17
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.901668
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DS_w2ngtxl0ep5d_0
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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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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_4996326649604921035220864
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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
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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_4994696617417687682423580
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| 2025-04-16T18:21:55
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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PO_4997678559785601646674468
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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_4434216283240006609824957
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| 2025-04-17T17:35:57
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.458276
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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_4999444070949871125010772
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| 2025-04-16T17:45:47
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -459.320751
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PO_4985382647564745610830037
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_5313466830535114471804082
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O40Si20
|
O2Si
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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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PO_4985063656845810152701093
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| 2025-04-17T18:48:22
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.586639
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| 2025-04-16T17:08:55
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.59582
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[] | null | null | null | null | null | null | 7.21226
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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_4986885438336241812593297
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| 2025-04-16T20:42:07
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.725797
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[] | null | null | null | null | null | null | 6.721183
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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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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_4435012105993342117067557
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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
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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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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1011751987273819361093760
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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_1012113963030420388422873
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| 2025-04-17T18:06:06
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.270118
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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_1012118722563998849870497
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| 2025-04-16T16:32:30
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.712197
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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_1012240909378440888503110
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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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| 2025-04-16T21:56:50
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.994393
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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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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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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
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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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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_1010477824553427844765095
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| 2025-04-17T18:26:41
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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 | 6.850117
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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_1010549866666813497088988
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.01652
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CO_1086405856076783393001739
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O40Si20
|
O2Si
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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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