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float64 | atomic_forces
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float64 | mean_force_norm
float64 | energy_above_hull
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list | positions
list | pbc
list | chemical_formula_hill
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string | chemical_formula_anonymous
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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
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_3574512287961796222061262
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| 2025-04-16T18:21:24
|
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 | 6.944139
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O40Si20
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O2Si
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A2B
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[
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| 2
| 0
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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_3579980245751749472582539
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| 2025-04-16T16:29:31
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -454.929146
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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_3583013256496248489939550
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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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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_3576410603139692000479534
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| 2025-04-17T17:56:16
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.415497
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PO_3571323379858049968390919
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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_3578124013163277898683843
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| 2025-04-16T17:41:42
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.846288
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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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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_3577800146716004505238991
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| 2025-04-16T17:10:53
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.738409
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_3590839339918802087350870
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| 2025-04-16T18:38:16
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.355124
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[
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DS_w2ngtxl0ep5d_0
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VASP
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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O40Si20
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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O2Si
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A2B
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PO_3593235245631442523426430
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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CO_6656775555294002384134206
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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_3597017723537122042695394
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| 2025-04-16T18:21:24
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.682202
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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_3596155770698856193337397
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| 2025-04-16T21:23:51
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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O40Si20
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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_3620024921178666051838681
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| 2025-04-16T18:29:46
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -459.088911
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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
| -457.126178
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[] | null | null | null | null | null | null | 9.064037
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CO_1337198584307879798845945
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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_3620687291046428020207963
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| 2025-04-16T21:38:17
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.134812
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DS_w2ngtxl0ep5d_0
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VASP
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O2Si
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data/MD/5165/MD_7964639482890510039065165.json
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DS_w2ngtxl0ep5d_0
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VASP
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DFT-PBE
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DS_w2ngtxl0ep5d_0
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VASP
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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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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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CO_1018914271505537170874008
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O40Si20
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O2Si
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A2B
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| 2025-04-16T20:19:31
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.014996
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[] | null | null | null | null | null | null | 5.001881
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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data/MD/5165/MD_7964639482890510039065165.json
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PO_3604520870630885910646787
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 8.054151
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CO_4013913097824190258052787
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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_3605598831429299956119632
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| 2025-04-16T18:09:29
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -457.01185
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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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[] | null | null | null | null | null | null | 10.015949
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CO_1088299252545314981805310
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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_3606771598254298227986316
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| 2025-04-16T16:33:13
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -459.690667
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| 2025-04-16T21:22:14
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.480598
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[] | null | null | null | null | null | null | 9.327317
| 3.208733
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CO_1256909954809777703988826
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O40Si20
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O2Si
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A2B
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| 2
| 0
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_3616816779452047240183721
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| 2025-04-16T18:36:02
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.940732
|
[
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[] | null | null | null | null | null | null | 7.153511
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CO_1055452726300818329879816
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O40Si20
|
O2Si
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A2B
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[
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[
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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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PO_3630091449761183342580932
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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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PO_3633504696583332554360376
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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_3631335390890046352893730
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| 2025-04-16T19:57:22
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -460.113059
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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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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_3632162571623082721798032
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| 2025-04-16T21:43:25
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -454.10776
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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CO_1290637612660868771311029
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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_3637066497050141952919338
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| 2025-04-16T20:59:49
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.138645
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3636157855729731388320725819408351146657254029460412325581867821491082860865506581558194778754454945317197280514205990479599814440219691160009279354397626
| 2025-04-16T15:40:54
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DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.884404
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[] | null | null | null | null | null | null | 7.23492
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CO_9998863805550539044054953
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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_3636658193788084168621133
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| 2025-04-16T20:26:39
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.115764
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[] | null | null | null | null | null | null | 5.899905
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O40Si20
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O2Si
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A2B
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DS_w2ngtxl0ep5d_0
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DS_w2ngtxl0ep5d_0
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VASP
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O40Si20
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O2Si
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A2B
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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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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_3658340371453959435601786
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| 2025-04-16T16:29:01
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -457.279785
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PO_3658513557593245452545635
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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_3655421186511613138094844
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| 2025-04-16T17:18:29
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -458.240005
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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O40Si20
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_3643668382516978043244589
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| 2025-04-16T21:52:07
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
| -456.931888
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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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CO_1279626020617657439835163
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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_3644183629389878943438966
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| 2025-04-16T17:13:47
|
DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -456.638129
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[
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| 2025-04-16T18:29:58
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -458.903916
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[] | null | null | null | null | null | null | 6.09771
| 2.617319
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CO_7211948868758874110019239
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O40Si20
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O2Si
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A2B
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| 2
| 0
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[
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data/MD/5165/MD_7964639482890510039065165.json
| null | null | null |
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PO_3648666459185651869503566
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| 2025-04-16T21:56:50
|
DS_w2ngtxl0ep5d_0
| 1
|
VASP
|
DFT-PBE
| -457.90245
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[] | null | null | null | null | null | null | 7.101031
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CO_9954699615850319394349685
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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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O40Si20
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O2Si
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DS_w2ngtxl0ep5d_0
| 1
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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
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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_3687940112083263510204881
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DS_w2ngtxl0ep5d_0
| 1
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VASP
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DFT-PBE
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PO_3690409026156493912179047
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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_3690260431590904134511365
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| 2025-04-16T21:43:25
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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
|
O2Si
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A2B
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data/MD/5165/MD_7964639482890510039065165.json
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PO_3691079858943256294962337
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| 2025-04-16T20:35:09
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -455.770464
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[] | null | null | null | null | null | null | 7.745586
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CO_4336339906748935008286458
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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_3680348335721482652873986
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DS_w2ngtxl0ep5d_0
| 1
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VASP
|
DFT-PBE
| -458.169196
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[] | null | null | null | null | null | null | 6.095091
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CO_1145408682190118828635796
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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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