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LatticeConstantCubicEnergy_diamond_C__TE_072855742236_004

Title
A single sentence description.
Equilibrium zero-temperature lattice constant for diamond C
Description Equilibrium lattice constant and cohesive energy of diamond C at zero temperature and pressure.
Species
The supported atomic species.
C
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 Junhao Li
Maintainer Daniel S. Karls
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_072855742236_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_diamond_C__TE_072855742236_004
Citable Link https://openkim.org/cite/TE_072855742236_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_diamond_C__TE_072855742236_003


EAM_Dynamo__MD_120291908751_004
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_Hepburn_Ackland_FeC__MO_143977152728_004 view 790
LennardJones612__MD_414112407348_002
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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 861
Tersoff_LAMMPS__MD_077075034781_002
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_Albe_Nordlund_Averback_PtC__MO_500121566391_001 view 574
Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_002 view 646
Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 view 718
Tersoff_LAMMPS_Tersoff_PRB39_1989_CSi__MO_171585019474_001 view 754
Tersoff_LAMMPS_Tersoff_PRL61_1988_C__MO_579868029681_001 view 574


  • No Errors associated with this Test




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LatticeConstantCubicEnergy__TD_475411767977_004.zip Zip Windows archive
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