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LinearThermalExpansionCoeffCubic_fcc_Ca__TE_389870929270_001

Title
A single sentence description.
Linear thermal expansion coefficient of fcc Ca at 293.15 K under a pressure of 0 MPa v001
Description Linear thermal expansion coefficient of a fcc lattice of Ca atoms at a temperature of 293.15 K under a pressure of 0 MPa.
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 Mingjian Wen
Maintainer Mingjian Wen
Published on KIM 2019
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_389870929270_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.
LinearThermalExpansionCoeffCubic_fcc_Ca__TE_389870929270_001
Citable Link https://openkim.org/cite/TE_389870929270_001
KIM Item TypeTest
DriverLinearThermalExpansionCoeffCubic__TD_522633393614_001
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.
LAMMPS
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 LinearThermalExpansionCoeffCubic_fcc_Ca__TE_389870929270_000


EAM_IMD__MD_113599595631_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)
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003 view 7870702
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 11901859
MEAM_LAMMPS__MD_249792265679_002
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)
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002 view 31102783
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002 view 149246570
Morse_Shifted__MD_552566534109_004
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)
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004 view 30194174
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004 view 11549933
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004 view 21835635
No Driver
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)
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 view 88873342





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