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LatticeConstant2DHexagonalEnergy_Graphene__TE_638394465817_001

Title
A single sentence description.
Cohesive energy and equilibrium lattice constant of graphene
Description This Test uses LAMMPS to compute the cohesive energy and lattice constant of graphene using conjugate gradient minimization with an initial guess of 2.5 Angstroms for the equilibrium lattice constant.
Species
The supported atomic species.
C
Contributor ilia
Maintainer ilia
Author Ilia Nikiforov
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_638394465817_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.
LatticeConstant2DHexagonalEnergy_Graphene__TE_638394465817_001
Citable Link https://openkim.org/cite/TE_638394465817_001
KIM Item TypeTest
DriverLatticeConstant2DHexagonalEnergy__TD_034540307932_001
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.
LAMMPS
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 LatticeConstant2DHexagonalEnergy_Graphene__TE_638394465817_000
LatticeConstant2DHexagonalEnergy Graphene TE_638394465817_001


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 110



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LatticeConstant2DHexagonalEnergy__TD_034540307932_001.txz Tar+XZ Linux and OS X archive
LatticeConstant2DHexagonalEnergy__TD_034540307932_001.zip Zip Windows archive

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