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timestamp[us] | dataset_id
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int32 | software
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float64 | atomic_forces
list | cauchy_stress
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string | formation_energy
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float64 | atomization_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | energy_above_hull
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string | structure_hash
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list | pbc
list | chemical_formula_hill
string | chemical_formula_reduced
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list | elements_ratios
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int32 | nelements
int32 | nperiodic_dimensions
int32 | dimension_types
list | names
list | labels
list | property_metadata_path
string | configuration_metadata_path
string | hash
string | configuration_metadata
string | property_metadata
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_6657262046576031123941029
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| 2025-04-16T18:34:55
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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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| 2
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
{"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"}
|
PO_6645848406964507868341557
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| 2025-04-16T18:46:38
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.800377
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[] | null | null | null | null | null | null | 9.191856
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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O2Si
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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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CO_7048990435478781578374964
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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_6663216247296065524779935
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| 2025-04-16T18:47:56
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.11753
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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
| null | null | null |
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PO_6665709848309908857069538
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| 2025-04-16T17:54:59
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.001762
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_2894730891075382315173967
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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_6666242526715720737967341
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| 2025-04-16T16:10:41
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.390637
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[
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data/MD/5165/MD_7964639482890510039065165.json
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PO_6666973335489648327711976
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -455.965151
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CO_1308461248708473080004271
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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_6666793903298418813087626
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6666793903298418813087626202512660944969055248544715154157211943190997019679623338860363994867307420239254106998142830162402653519699539037942513587826004
| 2025-04-16T21:37:17
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
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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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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_1215470801851637142987622
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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
| -458.879015
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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
| 1
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VASP
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DFT-PBE
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_7311959483736354946969909
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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_1215154328116438729139635
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| 2025-04-16T21:27:46
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.221596
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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_1215650920954861859532808
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| 2025-04-16T17:13:10
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.053666
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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_1215824810243723427184471
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| 2025-04-16T17:50:00
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.099731
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_7593796043230730830916958
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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_1215800575223190762961122
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| 2025-04-16T21:28:46
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.632175
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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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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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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_1216592341438220212594927
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| 2025-04-16T17:39:39
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.844865
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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_1217130680002326872266114
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| 2025-04-16T16:31:58
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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_1217334918245085523579720
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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 | 10.929461
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CO_1975034559506411249375763
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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_1217489621971410834668029
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| 2025-04-17T18:16:17
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.650321
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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_1217556522406226902629298
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| 2025-04-16T21:22:14
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.013378
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DS_w2ngtxl0ep5d_0
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VASP
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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
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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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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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| 2025-04-16T21:57:13
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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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| 2025-04-16T16:28:19
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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_6676934796182637172674911
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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
| 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_6674925053778301254120254
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| 2025-04-16T16:43:28
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.105659
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_5350743084551325620780229
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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_6683468276020246201053904
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| 2025-04-16T18:33:21
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.502843
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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
| null | null | null |
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PO_6692043392093478487389296
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| 2025-04-16T16:04:57
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.189708
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| 2025-04-16T17:56:28
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.66064
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[] | null | null | null | null | null | null | 11.040123
| 2.953547
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CO_4814875964641494950289536
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O40Si20
|
O2Si
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A2B
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| 2
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_6698989888193303063630732
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| 2025-04-16T17:29:10
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.44748
|
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[] | null | null | null | null | null | null | 7.152995
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CO_3030562037018089113985198
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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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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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O2Si
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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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data/MD/5165/MD_7964639482890510039065165.json
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PO_1220844947519436055054337
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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
| -456.987018
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[] | null | null | null | null | null | null | 7.326847
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PO_1220822372773364933118526
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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_1220830973290294430902952
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| 2025-04-16T20:16:22
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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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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_1221095384443685355930453
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| 2025-04-16T20:24:25
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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_1219279914210373033891059
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| 2025-04-16T21:29:37
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.966252
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| 2025-04-16T17:54:52
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.585657
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[] | null | null | null | null | null | null | 7.734453
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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_1219700869825363780692411
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| 2025-04-16T18:34:37
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -456.141807
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[] | null | null | null | null | null | null | 8.855848
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O40Si20
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O2Si
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A2B
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[
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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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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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| 2025-04-16T21:51:00
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.340058
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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_6710690474685109379781222
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| 2025-04-16T16:55:35
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.640139
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_7667067186517601034302688
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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_6712966470053205293728461
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| 2025-04-16T18:16:20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.368963
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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_6712027005843684194508841
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| 2025-04-16T15:14:06
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.233618
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[] | null | null | null | null | null | null | 8.46512
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CO_7671730962282298559899218
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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_6713444552513491849363066
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.223801
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[] | null | null | null | null | null | null | 5.626547
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CO_2159232392492107863068848
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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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|
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