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LatticeConstantCubicEnergy_fcc_B__TE_527677346230_007

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for fcc B v007
Description Equilibrium lattice constant and cohesive energy of fcc B at zero temperature and pressure.
Species
The supported atomic species.
B
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
This Test was computer-generated
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Published on KIM 2019
How to Cite

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

[1] Karls DS, Li J. Equilibrium zero-temperature lattice constant for fcc B v007 [Internet]. OpenKIM; 2019. Available from: https://openkim.org/cite/TE_527677346230_007

[2] Karls DS, Li J. Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v007. OpenKIM; 2019. doi:10.25950/2765e3bf

[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

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_527677346230_007
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.
LatticeConstantCubicEnergy_fcc_B__TE_527677346230_007
Citable Link https://openkim.org/cite/TE_527677346230_007
KIM Item TypeTest
DriverLatticeConstantCubicEnergy__TD_475411767977_007
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 LatticeConstantCubicEnergy_fcc_B__TE_527677346230_006


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 22616
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_DawLawsonBauschlicher_2011_HfB__MO_328263916986_000 view 7320
Tersoff_LAMMPS_DawLawsonBauschlicher_2011pot2_ZrB__MO_728716510644_000 view 4212
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000 view 10254
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_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001 view 14939
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 view 15440


No Driver
Model Error Categories Link to Error page
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000 other view




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LatticeConstantCubicEnergy__TD_475411767977_007.txz Tar+XZ Linux and OS X archive
LatticeConstantCubicEnergy__TD_475411767977_007.zip Zip Windows archive
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