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SurfaceEnergyCubicCrystalBrokenBondFit_fcc_User01__TE_110330412779_001

Title
A single sentence description.
Broken-bond fit of high-symmetry surface energies in fcc User01 v001
Description Computes the formation energy of several high-symmetry surfaces in fcc User01 and uses them to fit a broken-bond model
Species
The supported atomic species.
user01
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer-generated
Contributor Matt Bierbaum
Maintainer Matt Bierbaum
Published on KIM 2019
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Broken-bond fit of high-symmetry surface energies in fcc User01 v001. OpenKIM; 2019.

[2] High-symmetry surface energies in cubic lattices and broken bond model v004. OpenKIM; 2019. doi:10.25950/6c43a4e6

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_110330412779_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.
SurfaceEnergyCubicCrystalBrokenBondFit_fcc_User01__TE_110330412779_001
Citable Link https://openkim.org/cite/TE_110330412779_001
KIM Item TypeTest
DriverSurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004
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.
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 SurfaceEnergyCubicCrystalBrokenBondFit_fcc_User01__TE_110330412779_000


LJ__MD_414112407348_003
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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 view 1482658
TIDP__MD_167784395616_000
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)
TIDP_RajanWarnerCurtin_2016A_User01__MO_514760222899_001 view 39391
TIDP_RajanWarnerCurtin_2016B_User01__MO_217710069583_001 view 39360
TIDP_RajanWarnerCurtin_2016C_User01__MO_072437275969_001 view 41697
TIDP_RajanWarnerCurtin_2016D_User01__MO_791486224463_001 view 46057
TIDP_RajanWarnerCurtin_2016E_User01__MO_971845881377_001 view 43656
TIDP_RajanWarnerCurtin_2016F_User01__MO_246297839798_001 view 43435


  • No Errors associated with this Test




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