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float64 | mean_force_norm
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int32 | nelements
int32 | nperiodic_dimensions
int32 | dimension_types
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list | property_metadata_path
string | configuration_metadata_path
string | hash
string | configuration_metadata
string | property_metadata
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1397372990921400045865791
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| 2025-04-16T18:29:47
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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_1396757823810002809306055
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| 2025-04-16T17:11:09
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.117193
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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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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
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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_1415526531107042800387670
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| 2025-04-16T17:56:50
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.104743
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PO_1415548302265086955490583
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_1846238408639988802597618
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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_1403968046479612364229513
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| 2025-04-16T21:13:40
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.131106
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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_1405220992875273293603262
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| 2025-04-16T18:04:40
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.241586
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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_1405526430547558026260092
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| 2025-04-16T15:45:35
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.783037
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_1029486237040227064995990
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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_1418872850612426469527675
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| 2025-04-16T18:05:23
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.494363
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[
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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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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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| 2025-04-16T19:00:55
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.161938
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DS_w2ngtxl0ep5d_0
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O40Si20
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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PO_1417358107964127177940381
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_9138098093563912878064440
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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_1421702906840253361866782
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| 2025-04-16T20:27:55
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.361227
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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_7992236881110010967595574
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| 2025-04-16T15:09:29
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -459.982448
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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_7996302828109790579526937
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| 2025-04-16T17:35:02
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.9051
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_8008237596430087524404352
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| 2025-04-16T21:44:51
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.035599
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DS_w2ngtxl0ep5d_0
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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_8023240417804517159160422
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| 2025-04-16T16:07:44
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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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| 2025-04-16T19:57:31
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_8009905016226999542867897
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| 2025-04-16T17:54:28
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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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| 2025-04-16T15:44:32
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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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VASP
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DFT-PBE
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CO_9004412196606868879698779
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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_8012769699694391468261326
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| 2025-04-16T17:07:30
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.394262
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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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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1431078338288627236746554
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| 2025-04-16T16:26:23
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -454.856322
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| 2025-04-16T17:50:49
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -459.038963
|
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[] | null | null | null | null | null | null | 7.587026
| 2.60635
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CO_4037694300740238706241523
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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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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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|
PO_1434986496890953186922433
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| 2025-04-16T18:55:55
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -454.782389
|
[
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[] | null | null | null | null | null | null | 9.097039
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CO_1320692268666741553579473
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O40Si20
|
O2Si
|
A2B
|
[
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[
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DS_w2ngtxl0ep5d_0
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O40Si20
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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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O40Si20
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O2Si
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A2B
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PO_1424052422885070149398939
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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_1430183079227475848379084
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| 2025-04-16T18:08:07
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.602009
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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_1448186151422975387788925
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| 2025-04-16T21:57:13
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.405328
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PO_1448273220356963531594847
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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 | 6.796721
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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_1445675561009088222117745
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| 2025-04-16T18:14:58
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.802999
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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_1451093549827203841111915
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| 2025-04-16T21:13:40
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
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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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.85902
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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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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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| 2025-04-16T17:58:24
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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_1232247820434011852286028
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O40Si20
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O2Si
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A2B
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| 2025-04-16T20:14:53
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_1978119815167769178885814
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_7406814808746410912907791
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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_8030972624729890500689312
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| 2025-04-16T20:29:09
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -459.397558
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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_8011843230688075783077993
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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
| -458.062412
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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_8021389488846437993789368
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| 2025-04-16T15:44:31
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -459.250033
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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_8026206913082013202108225
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| 2025-04-16T17:48:04
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.216829
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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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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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| 2025-04-16T21:37:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.412823
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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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CO_8717531040145181961669278
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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_1468738414389937858281845
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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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VASP
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DFT-PBE
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CO_5112907485039360945372298
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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_1460533748807843776550789
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| 2025-04-16T16:32:15
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -454.815793
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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_1473418754575812068041830
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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
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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_1457345399222846142081180
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| 2025-04-16T18:07:53
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.705141
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[] | null | null | null | null | null | null | 9.924831
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CO_7782620243627158907490224
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O40Si20
|
O2Si
|
A2B
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[
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| 2
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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|
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