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LinearThermalExpansionCoeff_bcc_Fe__TE_506786620750_000

Title
A single sentence description.
Linear thermal expansion coefficient of bcc Fe at room temperature under zero pressure
Description This Test uses LAMMPS to compute the linear thermal expansion coefficient of bcc lattice Fe atoms at room temperature under zero pressure.
Species
The supported atomic species.
Fe
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_506786620750_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_Fe__TE_506786620750_000
Citable Link https://openkim.org/cite/TE_506786620750_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 Fe TE_506786620750_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_Ackland_Bacon_Fe__MO_142799717516_004 view 3557748
EAM_Dynamo_Ackland_Mendelev_FeP__MO_884343146310_004 view 2756347
EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_004 view 9353750
EAM_Dynamo_Bonny_Pasianot_FeNi__MO_267721408934_004 view 9389639
EAM_Dynamo_Hepburn_Ackland_FeC__MO_143977152728_004 view 3344568
EAM_Dynamo_Mendelev_Han_Fe_2__MO_769582363439_004 view 6742000
EAM_Dynamo_Mendelev_Han_Fe_5__MO_942420706858_004 view 5559852
EAM_Dynamo_Mendelev_Han_VFe__MO_249706810527_004 view 2855616
EAM_Dynamo_Mendelev_Srolovitz_AlFe__MO_577453891941_004 view 6833373
EAM_Dynamo_Zhou_Johnson_Fe__MO_650279905230_004 view 7190182
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 5997052
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_Fe__MO_147603128437_001 view 116777707
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Fe__MO_331285495617_001 view 105868479
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Fe__MO_984358344196_001 view 104333062



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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