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VacancyFormationMigration_fcc_Pt__TE_143190656999_000

Title
A single sentence description.
Vacancy formation and migration energy for fcc Pt
Description
Species
The supported atomic species.
Pt
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Junhao Li
Maintainer Daniel S. Karls
Publication Year 2018
Item Citation

This Test originally published in [1] is archived in OpenKIM [2-5].

[1] Jónsson H, Mills G, Jacobsen KW. Nudged elastic band method for finding minimum energy paths of transitions. In: Classical and quantum dynamics in condensed phase simulations. 1998. p. 385–404. doi:10.1142/9789812839664_0016

[2] Vacancy formation and migration energy for fcc Pt. OpenKIM; 2018.

[3] Vacancy formation and migration energies for cubic and hcp monoatomic crystals. OpenKIM; 2018.

[4] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[5] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_143190656999_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
VacancyFormationMigration_fcc_Pt__TE_143190656999_000
Citable Link https://openkim.org/cite/TE_143190656999_000
KIM Item TypeTest
DriverVacancyFormationMigration__TD_554849987965_000
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


Models

EAM_Dynamo__MD_120291908751_004
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EAM_Dynamo_Zhou_Johnson_Pt__MO_102190350384_004 view 174421
EMT_Asap__MD_128315414717_002
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
EMT_Asap_Standard_Jacobsen_Stoltze_Norskov_AlAgAuCuNiPdPt__MO_118428466217_002 view 318144
Tersoff_LAMMPS__MD_077075034781_002
Model Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Tersoff_LAMMPS_Albe_Nordlund_Averback_PtC__MO_500121566391_001 view 636348


Errors

EAM_QuinticClampedSpline__MD_532469991695_003
Model Error Categories Link to Error page
EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_000 mismatch view

EMT_Asap__MD_128315414717_004

LennardJones612__MD_414112407348_002
Model Error Categories Link to Error page
LennardJones612_UniversalShifted__MO_959249795837_002 other view

MEAM_2NN__MD_111291751625_001
Model Error Categories Link to Error page
MEAM_2NN_Fe_to_Ga__MO_145522277939_001 mismatch view

MEAM_LAMMPS__MD_249792265679_000

Tersoff_LAMMPS__MD_077075034781_004
Model Error Categories Link to Error page
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_003 mismatch view




Download Dependency

This Test requires a Test Driver. Archives for the Test Driver VacancyFormationMigration__TD_554849987965_000 appear below.


VacancyFormationMigration__TD_554849987965_000.txz Tar+XZ Linux and OS X archive
VacancyFormationMigration__TD_554849987965_000.zip Zip Windows archive

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