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LinearThermalExpansionCoeff_bcc_Mo__TE_653330286461_000

Title
A single sentence description.
Linear thermal expansion coefficient of bcc Mo at room temperature under zero pressure
Description This Test uses LAMMPS to compute the linear thermal expansion coefficient of bcc lattice Mo atoms at room temperature under zero pressure.
Species
The supported atomic species.
Mo
Contributor Mwen
Maintainer Mwen
Author Mingjian Wen
Publication Year 2015
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_653330286461_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.
LinearThermalExpansionCoeff_bcc_Mo__TE_653330286461_000
Citable Link https://openkim.org/cite/TE_653330286461_000
KIM Item TypeTest
DriverLinearThermalExpansionCoeffCubic__TD_522633393614_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
LinearThermalExpansionCoeff bcc Mo TE_653330286461_000


Models

EAM_Dynamo__MD_120291908751_004
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)
EAM_Dynamo_Smirnova_UMoXe__MO_679329885632_004 view 3137416
EAM_Dynamo_Zhou_Johnson_Mo__MO_271256517527_004 view 4664529
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 2801567
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_Mo__MO_666830945336_001 view 201179018
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Mo__MO_228581001644_001 view 36211098
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Mo__MO_534363225491_001 view 59404307
Three_Body_Stillinger_Weber_MX2__MD_242389978788_000
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)
Three_Body_Stillinger_Weber_MoS__MO_201919462778_000 view 584791947


Errors

  • No Errors associated with this Test


Download Dependency

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LinearThermalExpansionCoeffCubic__TD_522633393614_000.txz Tar+XZ Linux and OS X archive
LinearThermalExpansionCoeffCubic__TD_522633393614_000.zip Zip Windows archive

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