Jump to: Models | Files | Wiki


A single sentence description.
Elastic constants for diamond C at zero temperature v000
Description Given the zero-pressure, zero-temperature lattice constant of diamond C, this Test computes the corresponding elastic constants using numerical differentiation of the potential energy w.r.t. strain of the unit cell.
The supported atomic species.
A short statement of applicability which will accompany any results computed using it. A developer can use the disclaimer to inform users of the intended use of this KIM Item.
Contributor tadmor
Maintainer tadmor
Author Junhao Li and Ellad Tadmor
Publication Year 2019
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Huntington HB (1958) The Elastic Constants of Crystals. Solid State Physics 7:213–351. doi:10.1016/S0081-1947(08)60553-6

Item Citation Click here to download a citation in BibTeX format.
Short KIM ID
The unique KIM identifier code.
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.
Citable Link https://openkim.org/cite/TE_266299090062_000
KIM Item TypeTest
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.
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% Python


No Driver
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)
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000 view 258701
Sim_LAMMPS_EDIP_JiangMorganSzlufarska_2012_SiC__SM_435704953434_000 view 20759
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000 view 6224
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000 view 7283
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000 view 114287
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 view 16107
Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000 view 24449
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 view 26117
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000 view 16203
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000 view 12930

Download Dependency

This Test requires a Test Driver. Archives for the Test Driver ElasticConstantsCubic__TD_011862047401_005 appear below.

ElasticConstantsCubic__TD_011862047401_005.txz Tar+XZ Linux and OS X archive
ElasticConstantsCubic__TD_011862047401_005.zip Zip Windows archive


Wiki is ready to accept new content.

Login to edit Wiki content