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LinearThermalExpansionCoeff_diamond_Si__TE_782453122212_002

Title
A single sentence description.
 Linear thermal expansion coefficient of diamond Si at 293.15 K under a pressure of 0 MPa v002
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
Developer Mingjian Wen
Brendon Waters
Published on KIM 2024
How to Cite

This Test is archived in OpenKIM [1-4].

[1] Wen M, Waters B. Linear thermal expansion coefficient of diamond Si at 293.15 K under a pressure of 0 MPa v002 [Internet]. OpenKIM; 2024. Available from: https://openkim.org/cite/TE_782453122212_002

[2] Wen M, Waters B. Linear thermal expansion coefficient of cubic crystal structures v002. OpenKIM; 2024. doi:10.25950/9d9822ec

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
TE_782453122212_002
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_diamond_Si__TE_782453122212_002
Citable Link https://openkim.org/cite/TE_782453122212_002
KIM Item TypeTest
DriverLinearThermalExpansionCoeffCubic__TD_522633393614_002
Properties
Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.
KIM API Version2.3.0
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 LinearThermalExpansionCoeff_diamond_Si__TE_782453122212_001


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 701898
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000 view 704990
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 241217
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 2478876
MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002 view 8595960
MEAM_LAMMPS_DuLenoskyHennig_2011_Si__MO_883726743759_002 view 5152552
MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002 view 2108565
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 view 1858648
MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 view 1485809
MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 view 1912366
MEAM_LAMMPS_LenoskySadighAlonso_2000_Si__MO_533426548156_002 view 5259890
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 view 1600951
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 3547109
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 87761084
SNAP_ZuoChenLi_2019quadratic_Si__MO_721469752060_000 view 177767078
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 746365
SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 view 674879
SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 view 626952
SW_LeeHwang_2012GGA_Si__MO_040570764911_001 view 698879
SW_LeeHwang_2012LDA_Si__MO_517338295712_001 view 886612
SW_StillingerWeber_1985_Si__MO_405512056662_006 view 634942
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005 view 512146
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005 view 681358
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 1459085
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 view 1014814
Tersoff_LAMMPS_MunetohMotookaMoriguchi_2007_SiO__MO_501246546792_000 view 1241145
Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 view 1268912
Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_004 view 1570473
Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004 view 1674940
Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_004 view 1468140
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_004 view 1048414
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000 view 1720437
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000 view 1475649
ThreeBodyBondOrder_KDS__MD_697985444380_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_KDS_KhorDasSarma_1988_Si__MO_722489435928_000 view 1638515
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 2363365
ThreeBodyBondOrder_WR__MD_817691861922_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_WR_WangRockett_1991_Si__MO_081872846741_000 view 15898494
ThreeBodyCluster_BH__MD_043141570610_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_BH_BiswasHamann_1987_Si__MO_019616213550_000 view 42234215
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 1304187
ThreeBodyCluster_KP__MD_527786671773_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_KP_KaxirasPandey_1988_Si__MO_072486242437_000 view 65873047
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 1065878
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 1395771
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000 view 1399231
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000 view 838758
Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000 view 11179273
Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000 view 3297506
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view 2270088
Sim_LAMMPS_MEAM_LenoskySadighAlonso_2000_Si__SM_622320990752_000 view 3489994
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 view 1129042
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000 view 875309
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 view 968514
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 view 20416363
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000 view 20116286
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000 view 889466


Errors

LJ__MD_414112407348_003
Model Error Categories Link to Error page
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 other view

TorchML__MD_173118614730_000
Model Error Categories Link to Error page
TorchML_MACE_GuptaTadmorMartiniani_2024_Si__MO_781946209112_000 other view


Files

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

Download

LinearThermalExpansionCoeff_diamond_Si__TE_782453122212_002.txz Tar+XZ Linux and OS X archive
LinearThermalExpansionCoeff_diamond_Si__TE_782453122212_002.zip Zip Windows archive

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This Test requires a Test Driver. Archives for the Test Driver LinearThermalExpansionCoeffCubic__TD_522633393614_002 appear below.


LinearThermalExpansionCoeffCubic__TD_522633393614_002.txz Tar+XZ Linux and OS X archive
LinearThermalExpansionCoeffCubic__TD_522633393614_002.zip Zip Windows archive

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