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LatticeInvariantShearPathCubicCrystalCBKIM_diamond_Si__TE_268890373211_000

Title
A single sentence description.
Cohesive energy versus <-1 1 0>{1 1 1}shear parameter relation for diamond Si
Description This test is used to test lattice invariance shear of diamond Si based on cb-kim code. Initial guess of lattice parameter is 3, shear direction vector is along [-1 1 0] direction, shear plane normal vector is along [1 1 1] direction, shear period is 1, relaxation optional key is relex. The output in 'result.edn' will be strain energy density. More output items, such as Kirchhoff stress, relaxed lattice vectors/parameter can be found in 'cbkim.out'.
Species
The supported atomic species.
Si
Contributor Jiadi
Maintainer Jiadi
Author Jiadi Fan
Publication Year 2016
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_268890373211_000
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.
LatticeInvariantShearPathCubicCrystalCBKIM_diamond_Si__TE_268890373211_000
Citable Link https://openkim.org/cite/TE_268890373211_000
KIM Item TypeTest
DriverLatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version1.6
Simulator Name
The name of the simulator as defined in kimspec.edn. This Simulator Name is inhereted from the Test Driver.
none
LatticeInvariantShearPathCubicCrystalCBKIM diamond Si TE_268890373211_000


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