property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy 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_1146922184109777365776851 | 11469221841097773657768519804243854854103644267260338714435457275273806604627808757749357434613073966356026041237463220017350723118217693895787677537314765 | 2025-04-16T16:25:26 | DS_a0bxs66goqvv_0 | 1 | Gaussian 09 | DFT-RM06 | -85,581.867397 | [
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0.0000166093... | [] | null | null | null | null | null | null | 0.265018 | 0.008129 | null | CO_3132371607681452761435749 | 3132371607681452761435749767570026985218415146738157723392980353182759463694048200807097050363109676468486084686811975771831026328145302147517447173114420 | 12238727547979397004492906302391511359257462424160679309124907395938924335842445519483336949833142286297094110855618815548116124833609880366687939870127871 | [
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"_0"
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