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GroundStateCrystalStructure_W__TE_520443701845_000

Title
A single sentence description.
 Reference elemental energy for W v000
Description Returns the reference elemental energy for W.
Species
The supported atomic species.
W
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
Contributor Eric Fuemmeler
Maintainer Eric Fuemmeler
Published on KIM 2025
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Reference elemental energy for W v000 [Internet]. OpenKIM; 2025. Available from: https://openkim.org/cite/TE_520443701845_000

[2] Fuemmeler E. Test driver for computing reference ground state structures and energies for each element at zero temperature and applied stress v000. OpenKIM; 2025. doi:10.25950/fa5ed729

[3] 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

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

Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_520443701845_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.
GroundStateCrystalStructure_W__TE_520443701845_000
Citable Link https://openkim.org/cite/TE_520443701845_000
KIM Item TypeTest
DriverGroundStateCrystalStructure__TD_099540502402_000
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.3
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_006
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_Ackland_2003_W__MO_141627196590_006 view 31352
EAM_Dynamo_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_001 view 28496
EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_001 view 31656
EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM1_WHHe__MO_292520929154_001 view 28560
EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM2_WHHe__MO_626183701337_001 view 30988
EAM_Dynamo_ChenFangLiu_2019_WRe__MO_473237400492_000 view 29712
EAM_Dynamo_ChenFangLiu_2019_WTa__MO_645806019892_001 view 37246
EAM_Dynamo_ChenFangLiu_2021_WTaHe__MO_840023845283_000 view 20476
EAM_Dynamo_ChenLiaoGao_2020_WMo__MO_455557982718_000 view 39676
EAM_Dynamo_ChenLiaoGao_2020_WV__MO_944355520926_000 view 28740
EAM_Dynamo_ChenLiGao_2018_WRe__MO_138684956898_000 view 38826
EAM_Dynamo_HanZepedaAckland_2003_W__MO_286137913440_001 view 28380
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM2_W__MO_204305659515_001 view 36152
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM3_W__MO_706622909913_001 view 40162
EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_001 view 28800
EAM_Dynamo_MasonNguyenManhBecquart_2017_W__MO_268730733493_001 view 27360
EAM_Dynamo_Olsson_2009_W__MO_670013535154_001 view 29040
EAM_Dynamo_SetyawanGaoKurtz_2018_ReW__MO_680820064987_001 view 27540
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_001 view 38947
EAM_Dynamo_ZhouJohnsonWadley_2004_W__MO_524392058194_006 view 27900
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_W__MO_914556822329_001 view 27780
EAM_Dynamo_ZhouWadleyJohnson_2001_W__MO_621445647666_001 view 39312
EAM_MagneticCubic__MD_620624592962_002
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002 view 32628
LJ__MD_414112407348_003
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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 38218
MEAM_LAMMPS__MD_249792265679_002
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
MEAM_LAMMPS_HiremathMelinBitzek_2022_W__MO_943864507178_001 view 31260
MEAM_LAMMPS_LeeBaskesKim_2001_W__MO_227263111062_001 view 37140
MEAM_LAMMPS_Lenosky_2017_W__MO_999198119251_002 view 40952
MEAM_LAMMPS_ParkFellingerLenosky_2012_W__MO_560940542741_002 view 30900
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_002 view 32340
Morse_Shifted__MD_552566534109_004
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_W__MO_646516726498_004 view 26940
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_004 view 33175
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_004 view 27600
SNAP__MD_536750310735_000
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_000 view 43980
SNAP_WoodCusentinoWirth_2019_WBe__MO_939388497041_000 view 43680
Tersoff_LAMMPS__MD_077075034781_005
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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_PetismeGrenWahnstrom_2015_WCCo__MO_454528624659_000 view 22481
No Driver
Model Test Results Link to Test Results page Benchmark time
Usertime multiplied 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)
Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001 view 30805
Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000 view 28020
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_W__SM_163270462402_000 view 26700


Errors

  • No Errors associated with this Test


Files


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