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_1001155811995806479993028
|
10011558119958064799930285666882306984675752905714932489458312561498963817020804901620223780728147218845523687198907466722529452181420385985706823507954704
| 2025-04-16T20:10:30
|
DS_orfjpdomkekx_0
| 1
|
VASP
|
DFT-PBE
| -1,004.885799
|
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[
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data/MD/1512/MD_3220989785209901592711512.json
| null | null | null |
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PO_1001208239326586896771773
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| 2025-04-16T18:13:31
|
DS_orfjpdomkekx_0
| 1
|
VASP
|
DFT-PBE
| -340.548349
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N24Si24
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NSi
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AB
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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N16Si12
|
N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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PO_1001504418319182287047149
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| 2025-04-16T15:23:12
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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CO_4217711679483475499544429
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N16Si12
|
N4Si3
|
A4B3
|
[
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[
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| 3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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PO_1000049637534674165868993
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| 2025-04-16T15:43:08
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DS_orfjpdomkekx_0
| 1
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VASP
|
DFT-PBE
| -355.429972
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[
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DS_orfjpdomkekx_0
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N24Si24
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NSi
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AB
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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N4Si3
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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N16Si12
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N4Si3
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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PO_4916317445349728305697423
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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Si64
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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AB
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DS_orfjpdomkekx_0
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DFT-PBE
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N24Si24
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NSi
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AB
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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N16Si12
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N4Si3
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A4B3
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PO_4962428053185682701806647
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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N16Si12
|
N4Si3
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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N16Si12
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DS_orfjpdomkekx_0
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VASP
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N24Si24
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NSi
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data/MD/1512/MD_3220989785209901592711512.json
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PO_1007373499185845633236521
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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N24Si24
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NSi
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AB
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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NSi
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AB
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DS_orfjpdomkekx_0
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N16Si12
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N4Si3
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A4B3
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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VASP
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N16Si12
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N4Si3
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A4B3
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PO_1011011275451708810060183
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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N64
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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N24Si24
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NSi
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AB
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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N16Si12
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| 2025-04-16T16:55:35
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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N24Si24
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NSi
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AB
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T15:44:05
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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[] | null | null | null | null | null | null | 9.651994
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data/MD/1512/MD_3220989785209901592711512.json
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PO_4478926230831955901619408
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| 2025-04-16T16:48:30
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
| -228.586274
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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N24Si24
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NSi
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AB
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
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VASP
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DFT-PBE
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DS_orfjpdomkekx_0
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N4Si3
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DS_orfjpdomkekx_0
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VASP
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N24Si24
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AB
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DS_orfjpdomkekx_0
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N4Si3
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A4B3
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DS_orfjpdomkekx_0
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Si16
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A
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DS_orfjpdomkekx_0
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CO_7638147723908463039385288
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DS_orfjpdomkekx_0
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DS_orfjpdomkekx_0
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N24Si24
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NSi
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AB
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DS_orfjpdomkekx_0
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DFT-PBE
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N16Si12
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N4Si3
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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N16Si12
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N4Si3
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
| 1
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VASP
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DFT-PBE
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CO_8991161798640619139099427
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N24Si24
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NSi
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AB
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data/MD/1512/MD_3220989785209901592711512.json
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DS_orfjpdomkekx_0
| 1
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VASP
|
DFT-PBE
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N16Si12
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N4Si3
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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