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LatticeConstantCubicEnergy_sc_Si__TE_445489171948_004

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for sc Si
Description Equilibrium lattice constant and cohesive energy of sc Si at zero temperature and pressure.
Species
The supported atomic species.
Si
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.
This Test was computer-generated
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_445489171948_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.
LatticeConstantCubicEnergy_sc_Si__TE_445489171948_004
Citable Link https://openkim.org/cite/TE_445489171948_004
KIM Item TypeTest
DriverLatticeConstantCubicEnergy__TD_475411767977_004
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.9.0
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_sc_Si__TE_445489171948_003
LatticeConstantCubicEnergy sc Si TE_445489171948_004


Models

Tersoff_LAMMPS__MD_077075034781_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)
Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_002 view 718
Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 view 574
Tersoff_LAMMPS_Tersoff_PRB37_1988_Si__MO_245095684871_001 view 682
Tersoff_LAMMPS_Tersoff_PRB38_1988_Si__MO_186459956893_001 view 861
Tersoff_LAMMPS_Tersoff_PRB39_1989_CSi__MO_171585019474_001 view 825
Tersoff_LAMMPS_Tersoff_PRB39_1989_GeSi__MO_350526375143_001 view 790


Errors

  • No Errors associated with this Test


Download Dependency

This Test requires a Test Driver. Archives for the Test Driver LatticeConstantCubicEnergy__TD_475411767977_004 appear below.


LatticeConstantCubicEnergy__TD_475411767977_004.txz Tar+XZ Linux and OS X archive
LatticeConstantCubicEnergy__TD_475411767977_004.zip Zip Windows archive

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