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StackingFaultFccCrystal_Ca_0bar__TE_812847954572_000

Title
A single sentence description.
Stacking and twinning fault energies for fcc Ca
Description Intrinsic and extrinsic stacking fault energies, unstable stacking fault energy, unstable twinning energy, stacking fault energy as a function of fractional displacement, and gamma surface for fcc Ca at zero temperature and pressure.
Species
The supported atomic species.
Ca
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Subrahmanyam Pattamatta
Maintainer Subrahmanyam Pattamatta
Publication Year 2018
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_812847954572_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.
StackingFaultFccCrystal_Ca_0bar__TE_812847954572_000
Citable Link https://openkim.org/cite/TE_812847954572_000
KIM Item TypeTest
DriverStackingFaultFccCrystal__TD_228501831190_000
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
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


Models

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 12413000
Pair_Morse_Shifted__MD_552566534109_001
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)
Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_Ca__MO_159753408472_001 view 301231075
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Ca__MO_887105884651_001 view 152405910
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ca__MO_562200212426_001 view 232231220


Errors

IMD_EAM__MD_113599595631_002
Model Error Categories Link to Error page
IMD_EAM_Schopf_CaCd__MO_145183423516_002 mismatch view




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StackingFaultFccCrystal__TD_228501831190_000.txz Tar+XZ Linux and OS X archive
StackingFaultFccCrystal__TD_228501831190_000.zip Zip Windows archive

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