Reference elemental energy for Zn v000

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GroundStateCrystalStructure_Zn__TE_115925118486_000

Title A single sentence description.	Reference elemental energy for Zn v000
Description	Returns the reference elemental energy for Zn.
Species The supported atomic species.	Zn
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 Zn v000 [Internet]. OpenKIM; 2025. Available from: https://openkim.org/cite/TE_115925118486_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_115925118486_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_Zn__TE_115925118486_000
Citable Link	https://openkim.org/cite/TE_115925118486_000
KIM Item Type	Test
Driver	GroundStateCrystalStructure__TD_099540502402_000
Properties Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.	tag:staff@noreply.openkim.org,2025-09-10:property/elemental-crystal-ground-state
KIM API Version	2.3
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_ClementAuger_2022_CuZn__MO_875501152989_000		view	30000

EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003		view	22542

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 This Model has a disclaimer This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown.		view	22360

MEAM_LAMMPS__MD_249792265679_002

Model	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_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_002	view	30660
MEAM_LAMMPS_JangKimLee_2018_ZnMg__MO_474962707676_002	view	25884
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002	view	30960

PolyMLP__MD_367995833009_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)
PolyMLP_Seko_2022p2_AlZn__MO_194371430688_000 This Model has a disclaimer Several models from the PolyMLP repository are available for AlZn, all laying on a pareto front of computational speed vs. RMS accuracy. They are labeled p1, p2, p3, p4, p5 in their KIM IDs. Higher numbers mean slower models. The author-recommended model for this system is p2 (this model).		view	34086

SW__MD_335816936951_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)
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003		view	34329

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_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004		view	30623

No Driver

Model	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_BOP_WardZhouWong_2012_CdZnTe__SM_409035133405_001	view	28375
Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000	view	26880
Sim_LAMMPS_ReaxFF_RaymandVanDuinBaudin_2008_ZnOH__SM_449472104549_001	view	28071

Errors

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