property_id
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string | last_modified
timestamp[us] | dataset_id
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int32 | software
string | method
string | energy
float64 | atomic_forces
list | cauchy_stress
list | cauchy_stress_volume_normalized
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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
float64 | configuration_id
string | configuration_hash
string | structure_hash
string | cell
list | positions
list | pbc
list | chemical_formula_hill
string | chemical_formula_reduced
string | chemical_formula_anonymous
string | elements
list | elements_ratios
list | atomic_numbers
list | nsites
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_4965103896382009916641505
|
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| 2025-04-16T16:28:27
|
DS_qgi1kbtdzwmm_0
| 1
|
VASP
|
DFT-PBE
| -935.002869
|
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PO_4948767913395029267652094
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| 2025-04-17T17:35:57
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DS_qgi1kbtdzwmm_0
| 1
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VASP
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DFT-PBE
| -955.029602
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| 2025-04-17T18:37:27
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DS_qgi1kbtdzwmm_0
| 1
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VASP
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DFT-PBE
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PO_4978295953634050639444503
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| 2025-04-16T20:52:01
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DS_qgi1kbtdzwmm_0
| 1
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VASP
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DFT-PBE
| -925.108093
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data/MD/6415/MD_6206330277285791203846415.json
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DS_qgi1kbtdzwmm_0
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PO_1006686389979667611658987
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| 2025-04-16T16:08:33
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DS_qgi1kbtdzwmm_0
| 1
|
VASP
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DFT-PBE
| -926.156067
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