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LatticeConstantHexagonalEnergy_hcp_Kr__TE_511916047223_004

Title
A single sentence description.
Equilibrium lattice constants for hcp Kr
Description Computes the equilibrium lattice constants for hcp Kr at zero temperature and pressure using simplex minimization.
Species
The supported atomic species.
Kr
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
Contributor Junhao Li
Maintainer Junhao Li
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_511916047223_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.
LatticeConstantHexagonalEnergy_hcp_Kr__TE_511916047223_004
Citable Link https://openkim.org/cite/TE_511916047223_004
KIM Item TypeTest
DriverLatticeConstantHexagonalEnergy__TD_942334626465_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 LatticeConstantHexagonalEnergy_hcp_Kr__TE_511916047223_003


LJ_Shifted__MD_498634107543_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_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003 view 87784
LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003 view 16164
LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_003 view 35150
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 654513


  • No Errors associated with this Test




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LatticeConstantHexagonalEnergy__TD_942334626465_004.txz Tar+XZ Linux and OS X archive
LatticeConstantHexagonalEnergy__TD_942334626465_004.zip Zip Windows archive
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