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CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Titanium
Description This Test computes an energy vs. lattice constant curve for bcc Titanium. The
curve is computed for lattice constants ranging from 0.8*a_0 to 1.5*a_0,
where a_0 represents the equilibrium lattice constant. The value for a_0 is obtained by querying
the KIM database for the results of LatticeConstantCubicEnergy_bcc_Ti when paired
against the Model being used.
Species
The supported atomic species.
Ti
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor karls
Maintainer karls
Creator
Publication Year 2014
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_269215961393_001
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.
CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_001
Citable Link https://openkim.org/cite/TE_269215961393_001
KIM Item TypeTest
DriverCohesiveEnergyVsLatticeConstant__TD_554653289799_001
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.
LAMMPS
Previous Version CohesiveEnergyVsLatticeConstant_bcc_Ti__TE_269215961393_000


Models

EAM_Dynamo__MD_120291908751_004
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)
EAM_Dynamo_Ackland_Ti__MO_748534961139_004 view 1938
EAM_Dynamo_Zhou_Johnson_Ti__MO_723456820410_004 view 1938
EAM_Dynamo_Zope_Mishin_TiAl__MO_117656786760_004 view 3732
LennardJones612__MD_414112407348_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)
LennardJones612_UniversalShifted__MO_959249795837_002 view 861
MSMEAM_Dynamo_Gibson_Baskes__MD_080127949983_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)
MSMEAM_Gibson_Ti__MO_309653492217_000 view 53958


Errors

  • No Errors associated with this Test




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CohesiveEnergyVsLatticeConstant__TD_554653289799_001.txz Tar+XZ Linux and OS X archive
CohesiveEnergyVsLatticeConstant__TD_554653289799_001.zip Zip Windows archive

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