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LinearThermalExpansionCoeff_diamond_Si__TE_782453122212_000

Title
A single sentence description.
Linear thermal expansion coefficient of diamond Si at room temperature under zero pressure
Description This Test uses LAMMPS to compute the linear thermal expansion coefficient of diamond lattice Si atoms at room temperature under zero pressure.
Species
The supported atomic species.
Si
Contributor Mwen
Maintainer Mwen
Author Mingjian Wen
Publication Year 2015
Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
TE_782453122212_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.
LinearThermalExpansionCoeff_diamond_Si__TE_782453122212_000
Citable Link https://openkim.org/cite/TE_782453122212_000
KIM Item TypeTest
DriverLinearThermalExpansionCoeffCubic__TD_522633393614_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.
LAMMPS


Models

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 345205470
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 12451258
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 25145807
Three_Body_Stillinger_Weber_Balamane_Si__MO_113686039439_003 view 15163677
Three_Body_Stillinger_Weber_Hauch_Brittle_Si__MO_119167353542_003 view 15739695
Three_Body_Stillinger_Weber_Si__MO_405512056662_004 view 15497229
Three_Body_Stillinger_Weber_Zhang_Silicene_Model1_Si__MO_800412945727_003 view 9137483
Three_Body_Stillinger_Weber_Zhang_Silicene_Model2_Si__MO_475612090600_003 view 15092760


Errors

No Driver
Model Error Categories Link to Error page
Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000 view
Sim_LAMMPS_EDIP_JiangMorganSzlufarska_2012_SiC__SM_435704953434_000 view
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 view
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000 view
Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000 view
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 view
Sim_LAMMPS_MEAM_LenoskySadighAlonso_2000_Si__SM_622320990752_000 view
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 view
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000 view
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 view
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000 view
Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 view
Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 view
Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 view
Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 view

Tersoff_LAMMPS__MD_077075034781_002




Download Dependency

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LinearThermalExpansionCoeffCubic__TD_522633393614_000.zip Zip Windows archive

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