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int32 | software
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float64 | atomic_forces
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float64 | mean_force_norm
float64 | energy_above_hull
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string | structure_hash
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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
string | property_metadata
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1090082197683266365694874
|
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| 2025-04-16T16:48:31
|
DS_sany2behzwv8_0
| 1
|
VASP
|
DFT-LDA
| -1,638.508878
|
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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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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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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9672/MD_3096035736227726011599672.json
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DS_sany2behzwv8_0
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3216/MD_6050664401865744586773216.json
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PO_1097108228279956488888935
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| 2025-04-16T16:22:12
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,943.063396
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"dataset_train_test_split_test_981",
"216atom_amorphous_batch6_1400"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3146/MD_7536966584073508858423146.json
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PO_5404325695146643996973923
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| 2025-04-16T21:22:14
|
DS_sany2behzwv8_0
| 1
|
VASP
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DFT-LDA
| -1,626.665908
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DS_sany2behzwv8_0
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0149/MD_9868625397709592761450149.json
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PO_5401240119864712714150784
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| 2025-04-16T21:27:46
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,761.651422
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data/MD/7047/MD_2603831358710978608307047.json
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PO_1039872746730369050474643
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| 2025-04-16T15:43:48
|
DS_sany2behzwv8_0
| 1
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VASP
|
DFT-LDA
| -1,682.535627
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data/MD/4075/MD_1192009858069966510784075.json
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{"density": 3.2, "process": "quench2", "hash": "11920098580699665107840751783388622849100514727378138185415459884903830660390466357832188039079326686263930110606643788953076325671127911970374310569400770", "id": "MD_1192009858069966510784075"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_5420964586956072269943480
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| 2025-04-16T18:27:12
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DS_sany2behzwv8_0
| 1
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VASP
|
DFT-LDA
| -1,821.772403
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"216atom_amorphous_batch3_1638"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0700/MD_5405580666142915450570700.json
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PO_5442401761686818218165547
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| 2025-04-16T17:54:59
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,972.619132
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"dataset_train_test_split_test_746",
"216atom_amorphous_batch3_1686"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
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data/MD/4075/MD_1192009858069966510784075.json
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DS_sany2behzwv8_0
| 1
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VASP
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DFT-LDA
| -1,680.020861
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data/MD/7575/MD_4588767578890681457307575.json
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DS_sany2behzwv8_0
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DFT-LDA
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DS_sany2behzwv8_0
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DS_sany2behzwv8_0
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VASP
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DFT-LDA
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data/MD/4055/MD_1164244386176088966174055.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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data/MD/3216/MD_6050664401865744586773216.json
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DS_sany2behzwv8_0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0695/MD_7765324481430338190500695.json
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