Reference elemental energy for Ce v000

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GroundStateCrystalStructure_Ce__TE_492315834046_000

Title A single sentence description.	Reference elemental energy for Ce v000
Description	Returns the reference elemental energy for Ce.
Species The supported atomic species.	Ce
Disclaimer A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.	Computer generated

Contributor	Eric Fuemmeler
Maintainer	Eric Fuemmeler
Published on KIM	2025
How to Cite	This Test is archived in OpenKIM [1-4]. [1] Reference elemental energy for Ce v000 [Internet]. OpenKIM; 2025. Available from: https://openkim.org/cite/TE_492315834046_000 [2] Fuemmeler E. Test driver for computing reference ground state structures and energies for each element at zero temperature and applied stress v000. OpenKIM; 2025. doi:10.25950/fa5ed729 [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
Funding	Not available

Short KIM ID The unique KIM identifier code.	TE_492315834046_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.	GroundStateCrystalStructure_Ce__TE_492315834046_000
Citable Link	https://openkim.org/cite/TE_492315834046_000
KIM Item Type	Test
Driver	GroundStateCrystalStructure__TD_099540502402_000
Properties Properties as defined in kimspec.edn. These properties are inhereted from the Test Driver.	tag:staff@noreply.openkim.org,2025-09-10:property/elemental-crystal-ground-state
KIM API Version	2.3
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

LJ__MD_414112407348_003

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)
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 This Model has a disclaimer This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown.		view	43380

No Driver

Model	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_Buckingham_ArimaYamasakiTorikai_2005_CeO__SM_328512278696_000	view	28620
Sim_LAMMPS_Buckingham_GhoshSomayajuluArya_2015_ThCeO__SM_681317476351_000	view	27360
Sim_LAMMPS_ReaxFF_BroqvistKullgrenWolf_2015_CeO__SM_063950220736_000	view	30623
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000	view	33418

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