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VacancyFormationMigration_sc_O__TE_006415178296_000

Title
A single sentence description.
Vacancy formation and migration energy for sc O
Description
Species
The supported atomic species.
O
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 sc O. 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_006415178296_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_sc_O__TE_006415178296_000
Citable Link https://openkim.org/cite/TE_006415178296_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

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_Erhart_Juslin_Goy_Nordlund_Mueller_Albe_ZnO__MO_616776018688_001 view 337787


Errors

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_ErhartJuslinGoy_2006_ZnO__MO_616776018688_003 mismatch view

No Driver
Model Error Categories Link to Error page
Sim_LAMMPS_Buckingham_ArimaYamasakiTorikai_2005_CeO__SM_328512278696_000 mismatch view
Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000 mismatch view
Sim_LAMMPS_Buckingham_FangKeltyHe_2014_LaO__SM_576027677976_000 mismatch view
Sim_LAMMPS_Buckingham_FisherMatsubara_2005_NiO__SM_337243826931_000 mismatch view
Sim_LAMMPS_Buckingham_MatsuiAkaogi_1991_TiO__SM_690504433912_000 mismatch view
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000 mismatch view
Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_AlO__SM_466046725502_000 mismatch view
Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000 mismatch view
Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000 mismatch view
Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_000 mismatch view
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_000 mismatch view
Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000 mismatch view
Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000 mismatch view
Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 mismatch view
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 mismatch view
Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 mismatch view
Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 mismatch view
Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001 mismatch view
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 mismatch view
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 mismatch view
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_AlO__SM_853967355976_000 mismatch view
Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000 mismatch view
Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 mismatch view
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 mismatch view
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 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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