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ElasticConstantsCubic_sc_Cu__TE_319353354686_004

Title
A single sentence description.
Elastic constants for sc Cu at zero temperature
Description Given the zero-pressure, zero-temperature lattice constant of sc Cu, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
Species
The supported atomic species.
Cu
Disclaimer
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Computer generated
Contributor jl2922
Maintainer jl2922
Author Junhao Li
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Huntington HB (1958) The Elastic Constants of Crystals. Solid State Physics 7:213–351. doi:10.1016/S0081-1947(08)60553-6

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_319353354686_004
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.
ElasticConstantsCubic_sc_Cu__TE_319353354686_004
Citable Link https://openkim.org/cite/TE_319353354686_004
KIM Item TypeTest
DriverElasticConstantsCubic__TD_011862047401_004
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.0
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
Previous Version ElasticConstantsCubic_sc_Cu__TE_319353354686_003
ElasticConstantsCubic sc Cu TE_319353354686_004


Models

EAM_Dynamo__MD_120291908751_005
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_AcklandTichyVitek_1987_Cu__MO_179025990738_005 view 3702
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 view 3592
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 view 3152
EAM_Dynamo_AdamsFoiles_1989Universal6_Cu__MO_145873824897_000 view 3006
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 view 3225
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000 view 4215
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 view 3885
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000 view 3592
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 view 3189
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 view 3116
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 view 3519
EAM_Dynamo_MendelevKing_2008_Cu__MO_748636486270_005 view 4362
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 view 3482
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 view 3812
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 view 3739
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 view 3555
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 view 3922
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 view 3922
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 view 3812
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005 view 3335
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 view 3885
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000 view 4765
EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000 view 4142
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Cu__MO_759493141826_000 view 3225
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_CuTa__MO_950828638160_000 view 3702
LJ__MD_414112407348_003
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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 13708
Morse_Shifted__MD_552566534109_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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_002 view 6817
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_002 view 3775
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_002 view 4912
No Driver
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_NN_Johnson_1988_Cu__MO_887933271505_002 view 3079


Errors

  • No Errors associated with this Test


Download Dependency

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ElasticConstantsCubic__TD_011862047401_004.txz Tar+XZ Linux and OS X archive
ElasticConstantsCubic__TD_011862047401_004.zip Zip Windows archive

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