publication
string | equation
string | reaction_energy
float64 | miller_index
list | sites
string | other_structure
list | other_structure_energy
list | reactant_slab
list | reactant_slab_energy
list | product_slab
list | product_slab_energy
list | reactant_molecule
list | reactant_molecule_energy
list | product_molecule
list | product_molecule_energy
list | reactant_adslab
list | reactant_adslab_energy
list | product_adslab
list | product_adslab_energy
list | reactant_other
list | reactant_other_energy
list | product_other
list | product_other_energy
list | __index_level_0__
int64 | processed_reaction_energy
float64 | processed_reactant_slab_energy
float64 | processed_reactant_molecule_energy
float64 | processed_product_adslab_energy
float64 | adslab_tags
list |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] |
[] |
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[] | 40
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[
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[] |
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[] | 43
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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{}
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[
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[] |
[] |
[] |
[] | 45
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] |
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CatalysisHub-BalzarettiDensity2024
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[
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[
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[] |
[] |
[] |
[] | 48
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] |
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[] | 51
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] |
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[] | 52
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[] |
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[] | 56
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[
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[] |
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[] | 58
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[] | 60
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
| -0.928691
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[
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[
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[] |
[] |
[] |
[] | 62
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
1,
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{}
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[
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[] |
[] |
[] |
[] | 63
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
| -0.3542
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[
1,
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{}
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[] |
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[
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[] |
[] |
[] |
[] | 65
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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[
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[] |
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CatalysisHub-BalzarettiDensity2024
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CatalysisHub-BalzarettiDensity2024
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CatalysisHub-BalzarettiDensity2024
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CatalysisHub-BalzarettiDensity2024
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0.5H2(g) + * -> H*
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CatalysisHub-BalzarettiDensity2024
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 204
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 206
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CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
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[] | 215
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 217
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 218
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 246
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 248
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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[] | 250
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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CatalysisHub-MamunHighT2019
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0.5H2(g) + * -> H*
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1,
1,
1,
2
] |
CatalysisHub-MamunHighT2019
|
0.5H2(g) + * -> H*
| 0.533519
|
[
1,
0,
1
] |
{}
|
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[
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[
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[] |
[] |
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[
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[
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[] |
[] |
[] |
[] | 349
| 0.533519
| -44,057.885109
| -16.458868
| -44,073.810458
|
[
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