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LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_003

Title
A single sentence description.
Equilibrium lattice constants for hcp Fe
Description
Species
The supported atomic species.
Fe
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Computer generated
Contributor jl2922
Maintainer jl2922
Creator Junhao Li
Publication Year 2016
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_035924073553_003
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.
LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_003
Citable Link https://openkim.org/cite/TE_035924073553_003
KIM Item TypeTest
DriverLatticeConstantHexagonalEnergy__TD_942334626465_003
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.
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 LatticeConstantHexagonalEnergy_hcp_Fe__TE_035924073553_002


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 4271
EAM_Dynamo_Ackland_Mendelev_FeP__MO_884343146310_004 view 4522
EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_004 view 6998
EAM_Dynamo_Bonny_Pasianot_FeNi__MO_267721408934_004 view 6316
EAM_Dynamo_Hepburn_Ackland_FeC__MO_143977152728_004 view 5132
EAM_Dynamo_Mendelev_Han_Fe_2__MO_769582363439_004 view 6783
EAM_Dynamo_Mendelev_Han_Fe_5__MO_942420706858_004 view 6891
EAM_Dynamo_Mendelev_Han_VFe__MO_249706810527_004 view 5491
EAM_Dynamo_Mendelev_Srolovitz_AlFe__MO_577453891941_004 view 7070
EAM_Dynamo_Zhou_Johnson_Fe__MO_650279905230_004 view 7106
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 6029
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 11609
Pair_Morse_Shifted_GirifalcoWeizer_LowCutoff_Fe__MO_331285495617_001 view 7285
Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Fe__MO_984358344196_001 view 9464
Tersoff_LAMMPS__MD_077075034781_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)
Tersoff_LAMMPS_Mueller_Erhart_Albe_Fe__MO_137964310702_001 view 4917
model_driver_PF_cubic_splines__MD_620624592962_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)
model_Fe_PF_DudarevDerlet__MO_135034229282_001 view 7966
model_Fe_PF_mendelev__MO_856295952425_001 view 108655
model_driver_PF_quintic_splines__MD_543355979582_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)
model_Fe_PF_chiesa_quinticsplines__MO_140444321607_001 view 8034
No Driver
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_Johnson_Fe__MO_857282754307_002 view 7149


Errors

  • No Errors associated with this Test




Download Dependency

This Test requires a Test Driver. Archives for the Test Driver LatticeConstantHexagonalEnergy__TD_942334626465_003 appear below.


LatticeConstantHexagonalEnergy__TD_942334626465_003.txz Tar+XZ Linux and OS X archive
LatticeConstantHexagonalEnergy__TD_942334626465_003.zip Zip Windows archive

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