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VacancyFormationEnergyRelaxationVolume_diamond_Si__TE_257097293769_000

Title
A single sentence description.
Monovacancy formation energy and relaxation volume for diamond Si
Description
Species
The supported atomic species.
Si
Contributor jl2922
Maintainer karls
Author Junhao Li
Publication Year 2018
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_257097293769_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.
VacancyFormationEnergyRelaxationVolume_diamond_Si__TE_257097293769_000
Citable Link https://openkim.org/cite/TE_257097293769_000
KIM Item TypeTest
DriverVacancyFormationEnergyRelaxationVolume__TD_647413317626_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.
ase
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


Models

EDIP_BOP_C__MD_506186535567_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)
EDIP_BOP_Bazant_Kaxiras_Si__MO_958932894036_001 view 287344
Four_Body_Mistriotis_Flytzanis_Farantos__MD_514777050453_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)
Four_Body_Mistriotis_Flytzanis_Farantos_Si__MO_080526771943_000 view 267971
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_Erhart_Albe_CSi__MO_903987585848_002 view 201624
Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 view 174026
Tersoff_LAMMPS_Tersoff_PRB37_1988_Si__MO_245095684871_001 view 228613
Tersoff_LAMMPS_Tersoff_PRB38_1988_Si__MO_186459956893_001 view 240743
Tersoff_LAMMPS_Tersoff_PRB39_1989_CSi__MO_171585019474_001 view 248639
Tersoff_LAMMPS_Tersoff_PRB39_1989_GeSi__MO_350526375143_001 view 242646
Three_Body_Stillinger_Weber__MD_335816936951_003
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_Balamane_Hauch_Brittle_Si__MO_381114941873_001 view 133435
Three_Body_Stillinger_Weber_Balamane_Si__MO_113686039439_003 view 168463
Three_Body_Stillinger_Weber_Hauch_Brittle_Si__MO_119167353542_003 view 195093
Three_Body_Stillinger_Weber_Si__MO_405512056662_004 view 162757
Three_Body_Stillinger_Weber_Zhang_Silicene_Model1_Si__MO_800412945727_003 view 160531
Three_Body_Stillinger_Weber_Zhang_Silicene_Model2_Si__MO_475612090600_003 view 157050





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