property_id
string | property_hash
string | last_modified
timestamp[us] | dataset_id
string | multiplicity
int32 | software
string | method
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float64 | atomic_forces
list | cauchy_stress
list | cauchy_stress_volume_normalized
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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
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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_1000933251313782276342040
|
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| 2025-04-16T21:12:08
|
DS_mo7yelvudt4k_0
| 1
|
VASP
|
DFT-PBE
| -746.234308
|
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true,
true
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N60Si45
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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_1001018213980361950581136
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| 2025-04-16T20:11:35
|
DS_mo7yelvudt4k_0
| 1
|
VASP
|
DFT-PBE
| -796.876809
|
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[] | null | null | null | null | null | null | 7.203283
| 2.913438
| null |
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[
true,
true,
true
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N60Si45
|
N4Si3
|
A4B3
|
[
"N",
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[
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| 2
| 3
|
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[
"sait_semiconductors__SiN__OOD_1077",
"sait_semiconductors__SiN_raw__OOD__Quench_729"
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data/MD/1512/MD_3220989785209901592711512.json
| null | null | null |
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PO_1001193278381343043319327
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| 2025-04-16T18:57:59
|
DS_mo7yelvudt4k_0
| 1
|
VASP
|
DFT-PBE
| -718.987827
|
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N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_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_mo7yelvudt4k_0
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VASP
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DFT-PBE
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N60Si45
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N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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VASP
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DFT-PBE
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| 2025-04-16T21:09:01
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DS_mo7yelvudt4k_0
| 1
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VASP
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DFT-PBE
| -731.48001
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T17:08:59
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DS_mo7yelvudt4k_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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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_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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[
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T22:03:29
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DS_mo7yelvudt4k_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_mo7yelvudt4k_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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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DFT-PBE
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DS_mo7yelvudt4k_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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VASP
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DFT-PBE
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| 2025-04-16T15:18:29
|
DS_mo7yelvudt4k_0
| 1
|
VASP
|
DFT-PBE
| -711.875296
|
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[] | null | null | null | null | null | null | 15.269067
| 4.039892
| null |
CO_7595935938245170556967450
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] |
[
true,
true,
true
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N60Si45
|
N4Si3
|
A4B3
|
[
"N",
"Si"
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[
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0.42857142857142855
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| 2
| 3
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[
"sait_semiconductors__SiN__OOD_590",
"sait_semiconductors__SiN_raw__OOD__Melt_1770"
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data/MD/1512/MD_3220989785209901592711512.json
| null | null | null |
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PO_1053738155580181243996529
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| 2025-04-16T15:42:55
|
DS_mo7yelvudt4k_0
| 1
|
VASP
|
DFT-PBE
| -720.707772
|
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N60Si45
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N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T15:44:18
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DS_mo7yelvudt4k_0
| 1
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VASP
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DFT-PBE
| -771.351507
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N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T16:49:28
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DS_mo7yelvudt4k_0
| 1
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VASP
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DFT-PBE
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A4B3
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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DS_mo7yelvudt4k_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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VASP
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DFT-PBE
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DS_mo7yelvudt4k_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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VASP
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DFT-PBE
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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VASP
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DFT-PBE
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DS_mo7yelvudt4k_0
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VASP
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DFT-PBE
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N60Si45
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N4Si3
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A4B3
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[
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[
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data/MD/1512/MD_3220989785209901592711512.json
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PO_1017462511707512196815568
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| 2025-04-16T18:29:57
|
DS_mo7yelvudt4k_0
| 1
|
VASP
|
DFT-PBE
| -756.650158
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N60Si45
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N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-16T16:29:11
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DS_mo7yelvudt4k_0
| 1
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VASP
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DFT-PBE
| -744.121556
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N60Si45
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N4Si3
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A4B3
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_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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[
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data/MD/1512/MD_3220989785209901592711512.json
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| 2025-04-17T18:16:17
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DS_mo7yelvudt4k_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_mo7yelvudt4k_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
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[
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
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VASP
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data/MD/1512/MD_3220989785209901592711512.json
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DS_mo7yelvudt4k_0
| 1
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VASP
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DFT-PBE
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| 2025-04-16T15:44:05
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DS_mo7yelvudt4k_0
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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_mo7yelvudt4k_0
| 1
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VASP
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DFT-PBE
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