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CohesiveEnergyVsLatticeConstant_bcc_S__TE_236749031642_001

Title
A single sentence description.
Cohesive energy versus lattice constant curve for bcc Sulfur
Description This Test computes an energy vs. lattice constant curve for bcc Sulfur. 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_S when paired
against the Model being used.
Species
The supported atomic species.
S
Contributor karls
Maintainer karls
Author Daniel Karls
Publication Year 2014
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_236749031642_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_S__TE_236749031642_001
Citable Link https://openkim.org/cite/TE_236749031642_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_S__TE_236749031642_000
CohesiveEnergyVsLatticeConstant bcc S TE_236749031642_001


Models

  • No Models associated with this Test
  • Models are paired to Tests through Test Results



Errors

  • No Errors associated with this Test


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