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LatticeConstantCubicEnergy_diamond_Sn__TE_234624046982_007

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for diamond Sn v007
Description Equilibrium lattice constant and cohesive energy of diamond Sn at zero temperature and pressure.
Species
The supported atomic species.
Sn
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
Publication Year 2019
Item Citation

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

[1] Equilibrium zero-temperature lattice constant for diamond Sn v007. OpenKIM; 2019.

[2] 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_234624046982_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_diamond_Sn__TE_234624046982_007
Citable Link https://openkim.org/cite/TE_234624046982_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_diamond_Sn__TE_234624046982_006


Models

LJ__MD_414112407348_003
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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 7166
MEAM_LAMMPS__MD_249792265679_000
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)
MEAM_LAMMPS_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_000 view 2401
MEAM_LAMMPS_KimJeonLee_2015_MgSn__MO_935641703527_000 view 2306
MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_000 view 2653
MEAM_LAMMPS_KoKimKwon_2018_Sn__MO_129364204512_000 view 2116
MEAM_LAMMPS_VellaChenStillinger_2017_Sn__MO_316045643888_000 view 2085
No Driver
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)
Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000 view 3353


Errors

  • No Errors associated with this Test




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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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