property_id
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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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float64 | mean_force_norm
float64 | energy_above_hull
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string | structure_hash
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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_1077210070964591740593697
|
10772100709645917405936970824224842916394396031634295722485553154028191768428217592921254979385093970937211294118921572373832199196872322859707832557005454
| 2025-04-16T15:09:29
|
DS_sany2behzwv8_0
| 1
|
VASP
|
DFT-LDA
| -2,034.052725
|
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data/MD/4075/MD_1192009858069966510784075.json
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DS_sany2behzwv8_0
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"216atom_amorphous_batch5_2037"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5809/MD_1053314208362790683835809.json
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PO_1029927819507879952136462
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| 2025-04-16T15:14:06
|
DS_sany2behzwv8_0
| 1
|
VASP
|
DFT-LDA
| -1,671.079892
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[
"dataset_train_test_split_test_1967",
"216atom_amorphous_batch1_2028"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
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data/MD/5809/MD_1053314208362790683835809.json
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PO_1080453117173850883936513
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| 2025-04-16T15:45:59
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,665.839093
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"dataset_train_test_split_test_54",
"216atom_amorphous_batch2_2169"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1051/MD_2833703760812795379731051.json
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PO_1030569751483555480489978
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| 2025-04-16T16:30:02
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -2,015.886366
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1428/MD_7593615560690234691531428.json
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PO_5135452469924708086031542
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| 2025-04-16T21:38:17
|
DS_sany2behzwv8_0
| 1
|
VASP
|
DFT-LDA
| -1,642.024691
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0139/MD_1831667754536448853390139.json
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DS_sany2behzwv8_0
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VASP
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0695/MD_7765324481430338190500695.json
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PO_1031081126251598138660278
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| 2025-04-17T17:56:16
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,796.359452
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[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4517/MD_6914622224318021998794517.json
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,967.379338
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0167/MD_9894088287388242547820167.json
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DS_sany2behzwv8_0
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VASP
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DFT-LDA
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8946/MD_6915386967471298219418946.json
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