Jump to: Models | Files | Wiki

LinearThermalExpansionCoeffCubic_diamond_Si__TE_782453122212_001

Title
A single sentence description.
 Linear thermal expansion coefficient of diamond Si at 293.15 K under a pressure of 0 MPa v001
Description Linear thermal expansion coefficient of a diamond lattice of Si atoms at a temperature of 293.15 K under a pressure of 0 MPa.
Species
The supported atomic species.
Si
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_782453122212_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_diamond_Si__TE_782453122212_001
Citable Link https://openkim.org/cite/TE_782453122212_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_diamond_Si__TE_782453122212_000


Models

EDIP_LAMMPS__MD_783584031339_000
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)
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000 view 7345193
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 view 7120927
EDIP__MD_506186535567_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)
EDIP_JustoBazantKaxiras_1998_Si__MO_958932894036_002 view 5470311
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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002 view 31613894
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 view 140470638
MEAM_LAMMPS_DuLenoskyHennig_2011_Si__MO_883726743759_002 view 83441191
MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002 view 34512701
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 view 26609909
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 view 33880064
MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 view 23988598
MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_002 view 85044596
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 view 13356452
MFF__MD_514777050453_001
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)
MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001 view 27466043
SNAP__MD_536750310735_000
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)
SNAP_ZuoChenLi_2019_Si__MO_869330304805_000 view 1216659633
SNAP_ZuoChenLi_2019quadratic_Si__MO_721469752060_000 view 1486645563
SW__MD_335816936951_005
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)
SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005 view 6058224
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 view 5645611
SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 view 2854553
SW_LeeHwang_2012GGA_Si__MO_040570764911_001 view 3478579
SW_LeeHwang_2012LDA_Si__MO_517338295712_001 view 3968940
SW_StillingerWeber_1985_Si__MO_405512056662_006 view 5986301
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005 view 2453061
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 view 4213557
Tersoff_LAMMPS__MD_077075034781_005
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)
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005 view 23525416
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000 view 24578238
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 14402902
Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004 view 58667768
Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004 view 14516363
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004 view 21785223
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004 view 15206917
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 view 17211692
ThreeBodyBondOrder_PPM__MD_184422512875_000
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)
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000 view 16397273
ThreeBodyCluster_Gong__MD_065419309200_000
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)
ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000 view 4836737
ThreeBodyCluster_SRS__MD_814842199451_000
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)
ThreeBodyCluster_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_000 view 7006615
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_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000 view 9771394
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000 view 59438238
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 11531875
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 view 18462995
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 view 238919876
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 view 164389746
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 view 14909303


Errors

LJ__MD_414112407348_003
Model Error Categories Link to Error page
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 other view

MEAM_LAMMPS__MD_249792265679_001
Model Error Categories Link to Error page
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_001 other view

Tersoff_LAMMPS__MD_077075034781_005
Model Error Categories Link to Error page
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000 other view

No Driver


Files

LICENSE.CDDL
Makefile
README
dependencies.edn
kimprovenance.edn
kimspec.edn
pipeline.stdin.tpl
runner

Download

LinearThermalExpansionCoeffCubic_diamond_Si__TE_782453122212_001.txz Tar+XZ Linux and OS X archive
LinearThermalExpansionCoeffCubic_diamond_Si__TE_782453122212_001.zip Zip Windows archive

Download Dependency

This Test requires a Test Driver. Archives for the Test Driver LinearThermalExpansionCoeffCubic__TD_522633393614_001 appear below.


LinearThermalExpansionCoeffCubic__TD_522633393614_001.txz Tar+XZ Linux and OS X archive
LinearThermalExpansionCoeffCubic__TD_522633393614_001.zip Zip Windows archive

Wiki

Wiki is ready to accept new content.
Login to edit Wiki content