MEAM Potential for Si developed by Lee (2007) v001

Byeong-Joo Lee

doi:10.25950/5e5b53ed

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MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001

Interatomic potential for Silicon (Si).
Use this Potential

Title A single sentence description.	MEAM Potential for Si developed by Lee (2007) v001
Description A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.	A semi-empirical interatomic potential for silicon based on the modified embedded atom method formalism. This potential describes elastic, structural, point defect, surface, thermal (except melting point), and cluster properties as satisfactorily as any other empirical potential ever developed. When compared to the previously developed MEAM Si potential [M.I. Baskes, J.S. Nelson, A.F. Wright, Phys. Rev. B 40 (1989) 6085], for example, improvements were made in the description of surface relaxations, thermal expansion, and amorphous structure. This potential has the same formalism as already developed MEAM potentials for bcc, fcc, and hcp elements, and can be easily extended to describe various metal–silicon multi-component systems.
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
Content Origin	https://www.ctcms.nist.gov/potentials/entry/2007--Lee-B-J--Si/

Contributor	I Nikiforov
Maintainer	I Nikiforov
Developer	Byeong-Joo Lee
Published on KIM	2023
How to Cite	This Model originally published in [1] is archived in OpenKIM [2-5]. [1] Lee B-J. A modified embedded atom method interatomic potential for silicon. Calphad [Internet]. 2007;31(1):95–104. Available from: https://www.sciencedirect.com/science/article/pii/S0364591606000733 doi:10.1016/j.calphad.2006.10.002 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information. [2] Lee B-J. MEAM Potential for Si developed by Lee (2007) v001. OpenKIM; 2023. doi:10.25950/5e5b53ed [3] Afshar Y, Hütter S, Rudd RE, Stukowski A, Tipton WW, Trinkle DR, et al. The modified embedded atom method (MEAM) potential v002. OpenKIM; 2023. doi:10.25950/ee5eba52 [4] 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 [5] 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	Award Number: R01-2006-000-10585-02006 Funder: Korea Science and Engineering Foundation Award Number: 10022937-2005-21 Funder: Ministry of Commerce, Industry and Energy of Korea

Short KIM ID The unique KIM identifier code.	MO_774917820956_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.	MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001
DOI	10.25950/5e5b53ed https://doi.org/10.25950/5e5b53ed https://commons.datacite.org/doi.org/10.25950/5e5b53ed
KIM Item Type Specifies whether this is a Portable Model (software implementation of an interatomic model); Portable Model with parameter file (parameter file to be read in by a Model Driver); Model Driver (software implementation of an interatomic model that reads in parameters).	Portable Model using Model Driver MEAM_LAMMPS__MD_249792265679_002
Driver	MEAM_LAMMPS__MD_249792265679_002
KIM API Version	2.2
Potential Type	meam

Previous Version	MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_000

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade	Name	Category	Brief Description	Full Results	Aux File(s)
P All elements claimed by model are supported in at least one of the tested configurations.	vc-species-supported-as-stated	mandatory	The model supports all species it claims to support; see full description.	Results	Files
P Periodic boundary conditions were correctly supported for all configurations that the model was able to compute.	vc-periodicity-support	mandatory	Periodic boundary conditions are handled correctly; see full description.	Results	Files
P Model energy has permutation symmetry for all configurations the model was able to compute.	vc-permutation-symmetry	mandatory	Total energy and forces are unchanged when swapping atoms of the same species; see full description.	Results	Files
A The letter grade A was assigned because the normalized error in the computation was 1.41556e-09 compared with a machine precision of 2.22045e-16. The letter grade was based on 'score=log10(error/eps)', with ranges A=[0, 7.5], B=(7.5, 10.0], C=(10.0, 12.5], D=(12.5, 15.0), F>15.0. 'A' is the best grade, and 'F' indicates failure.	vc-forces-numerical-derivative	consistency	Forces computed by the model agree with numerical derivatives of the energy; see full description.	Results	Files
F The model is C^0 continuous. This means that the model has continuous energy, but a discontinuous first derivative.	vc-dimer-continuity-c1	informational	The energy versus separation relation of a pair of atoms is C1 continuous (i.e. the function and its first derivative are continuous); see full description.	Results	Files
P Model energy and forces are invariant with respect to rigid-body motion (translation and rotation) for all configurations the model was able to compute.	vc-objectivity	informational	Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.	Results	Files
P Model energy has inversion symmetry for all configurations the model was able to compute.	vc-inversion-symmetry	informational	Total energy is unchanged and forces change sign when inverting a configuration through the origin; see full description.	Results	Files
P No memory leak detected.	vc-memory-leak	informational	The model code does not have memory leaks (i.e. it releases all allocated memory at the end); see full description.	Results	Files
P All threads give identical results for tested case. Model appears to be thread-safe.	vc-thread-safe	mandatory	The model returns the same energy and forces when computed in serial and when using parallel threads for a set of configurations. Note that this is not a guarantee of thread safety; see full description.	Results	Files
P Unit conversion successful	vc-unit-conversion	mandatory	The model is able to correctly convert its energy and/or forces to different unit sets; see full description.	Results	Files

This bar chart plot shows the mono-atomic body-centered cubic (bcc) lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

Species: Si

Cohesive Energy Graph

This graph shows the cohesive energy versus volume-per-atom for the current mode for four mono-atomic cubic phases (body-centered cubic (bcc), face-centered cubic (fcc), simple cubic (sc), and diamond). The curve with the lowest minimum is the ground state of the crystal if stable. (The crystal structure is enforced in these calculations, so the phase may not be stable.) Graphs are generated for each species supported by the model.

Species: Si

Diamond Lattice Constant

This bar chart plot shows the mono-atomic face-centered diamond lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

Species: Si

Dislocation Core Energies

This graph shows the dislocation core energy of a cubic crystal at zero temperature and pressure for a specific set of dislocation core cutoff radii. After obtaining the total energy of the system from conjugate gradient minimizations, non-singular, isotropic and anisotropic elasticity are applied to obtain the dislocation core energy for each of these supercells with different dipole distances. Graphs are generated for each species supported by the model.

(No matching species)

FCC Elastic Constants

This bar chart plot shows the mono-atomic face-centered cubic (fcc) elastic constants predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

Species: Si

FCC Lattice Constant

This bar chart plot shows the mono-atomic face-centered cubic (fcc) lattice constant predicted by the current model (shown in red) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

Species: Si

FCC Stacking Fault Energies

This bar chart plot shows the intrinsic and extrinsic stacking fault energies as well as the unstable stacking and unstable twinning energies for face-centered cubic (fcc) predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

FCC Surface Energies

This bar chart plot shows the mono-atomic face-centered cubic (fcc) relaxed surface energies predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

SC Lattice Constant

This bar chart plot shows the mono-atomic simple cubic (sc) lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

Species: Si

Cubic Crystal Basic Properties Table

Species: Si

Tests

ClusterEnergyAndForces__TD_000043093022_003

Conjugate gradient relaxation of atomic cluster v003

Creators: Daniel S. Karls
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/b47dd4c4

Given an xyz file corresponding to a finite cluster of atoms, this Test Driver computes the total potential energy and atomic forces on the configuration. The positions are then relaxed using conjugate gradient minimization and the final positions and forces are recorded. These results are primarily of interest for training machine-learning algorithms.

Test	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)
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7877
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3902
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10160
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3839
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7951
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5669
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10086
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9865
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4417
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3828
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7288
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5669
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3869
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2356
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2356
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3828
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12000
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6699
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2945
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3988
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2135
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3607
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1399
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2209
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1988
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8098
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4564
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8466
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2209
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4417
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2945
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1988
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6111
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6479
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4123
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4123
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12221
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12884
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11706
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5080
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3799
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5448
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4417
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11558
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2356
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3799
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7068
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10307
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5374
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8761
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11927
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8172
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9423
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5669
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6331
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2724
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3828
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4785
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11927
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12147
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2061
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9203
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3998
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1988
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3976
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2356
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5374
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11485
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3879
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5669
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3909
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2135
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3968
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6037
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5080
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7215
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11190
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5080
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3018
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9644
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9203
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3313
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5816
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6773
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8172
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1914
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5374
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5448
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6552
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5522
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3239
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5522
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2503
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12515
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7068
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3978
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2061
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10380
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5890
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12074
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3239
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11264
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3899
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12663
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3879
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8761
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10749
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3387
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3919
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4785
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5742
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3879
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8466
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5963
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2429
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7951
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3239
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9203
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4270
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7141
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2503
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4123
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2724
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3451
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5890
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5890
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3387
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10233
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3828
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4344
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2798
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3018
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3166
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6184
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10233
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4785
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2209
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2209
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2135
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3018
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2503
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7877
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3166
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1693
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3607
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4196
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6331
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3839
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3799
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6037
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3929
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10012
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8834
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9423
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8025
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2429
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3239
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6405
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2798
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3755
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5595
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3828
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4123
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3879
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9423
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8098
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10160
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3949
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9350
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5669
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12000
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2724
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10601
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4123
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9350
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6920
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3607
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3239
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4196
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6626
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7288
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3755
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10675
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3313
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8393
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3166
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7509
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2429
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2429
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7362
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3607
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6626
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4123
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3607
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6479
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10233
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1767
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5669
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11043
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2945
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6994
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3976
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9718
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3968
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4933
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3949
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8834
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2061
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3166
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3313
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4638
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6405
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2135
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8982
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7436
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3889
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1546
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7141
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3939
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5301
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	12589
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2798
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3949
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3313
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11043
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4785
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2724
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11117
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7509
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4933
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5301
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3988
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10896
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6626
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9055
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3387
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8172
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5595
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3755
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2871
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4270
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6847
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2356
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5153
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3018
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6994
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9939
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	11264
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2503
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8025
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3607
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5374
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5374
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2871
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2061
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2135
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9792
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10307
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4785
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5816
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2798
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6920
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8540
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3869
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3799
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4078
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5080
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10822
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9423
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9939
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	10896
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5890
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2356
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4712
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5080
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2871
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2209
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3829
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6405
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9644
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1767
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3929
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	7951
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3839
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3092
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	9203
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3839
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3968
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1841
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5963
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6920
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2061
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5816
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3828
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4417
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5890
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3166
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	4049
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3681
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	8245
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2577
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	5227
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	6037
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849

CohesiveEnergyVsLatticeConstant__TD_554653289799_003

Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003

Creators:
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/64cb38c5

This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic lattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings. The lattice spacings range from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and a_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice constant). The precise scaling and number of lattice spacings sampled between a_min and a_0 (a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and samplespacing_lower (N_upper and samplespacing_upper). Please see README.txt for further details.

Test	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)
Cohesive energy versus lattice constant curve for bcc Si v004	view	3630
Cohesive energy versus lattice constant curve for diamond Si v004	view	3312
Cohesive energy versus lattice constant curve for fcc Si v004	view	3332
Cohesive energy versus lattice constant curve for sc Si v004	view	3460

ElasticConstantsCubic__TD_011862047401_006

Elastic constants for cubic crystals at zero temperature and pressure v006

Creators: Junhao Li and Ellad Tadmor
Contributor: tadmor
Publication Year: 2019
DOI: https://doi.org/10.25950/5853fb8f

Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc, diamond) by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.

Test	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)
Elastic constants for bcc Si at zero temperature v006	view	13835
Elastic constants for diamond Si at zero temperature v001	view	17816
Elastic constants for fcc Si at zero temperature v006	view	20614
Elastic constants for sc Si at zero temperature v006	view	30405

EquilibriumCrystalStructure__TD_457028483760_002

Equilibrium structure and energy for a crystal structure at zero temperature and pressure v002

Creators:
Contributor: ilia
Publication Year: 2024
DOI: https://doi.org/10.25950/2f2c4ad3

Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.

Test	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)
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF136_227_aeg v002	view	2134774
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF4_225_a v002	view	71940
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF8_227_a v002	view	148198
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI12_229_d v002	view	186655
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI16_206_c v002	view	100566
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI82_217_acgh v002	view	634535
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cP46_223_cik v002	view	232042
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP1_191_a v002	view	54745
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP2_194_c v002	view	51585
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP40_191_hjmno v002	view	117935
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP4_194_f v002	view	53226
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP58_164_2d3i3j v002	view	135094
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP68_194_ef2h2kl v002	view	154677
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC164_15_e20f v002	view	3337070
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC16_12_4i v002	view	57175
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oC92_63_ce2f2g3h v002	view	187688
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oF16_69_gh v002	view	162407
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI4_141_a v002	view	56203
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI8_139_h v002	view	81572
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tP106_137_a5g4h v002	view	319807

LatticeConstantCubicEnergy__TD_475411767977_007

Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v007

Creators: Daniel S. Karls and Junhao Li
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/2765e3bf

Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure.

Test	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)
Equilibrium zero-temperature lattice constant for bcc Si v007	view	10085
Equilibrium zero-temperature lattice constant for diamond Si v007	view	9936
Equilibrium zero-temperature lattice constant for fcc Si v007	view	17006
Equilibrium zero-temperature lattice constant for sc Si v007	view	9498

LatticeConstantHexagonalEnergy__TD_942334626465_005

Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v005

Creators: Daniel S. Karls and Junhao Li
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/c339ca32

Calculates lattice constant of hexagonal bulk structures at zero temperature and pressure by using simplex minimization to minimize the potential energy.

Test	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)
Equilibrium lattice constants for hcp Si v005		view	46468

LinearThermalExpansionCoeffCubic__TD_522633393614_002

Linear thermal expansion coefficient of cubic crystal structures v002

Creators:
Contributor: mjwen
Publication Year: 2024
DOI: https://doi.org/10.25950/9d9822ec

This Test Driver uses LAMMPS to compute the linear thermal expansion coefficient at a finite temperature under a given pressure for a cubic lattice (fcc, bcc, sc, diamond) of a single given species.

Test	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)
Linear thermal expansion coefficient of diamond Si at 293.15 K under a pressure of 0 MPa v002		view	1912366

TriclinicPBCEnergyAndForces__TD_892847239811_003

Potential energy and atomic forces of periodic, non-orthogonal cell of atoms v003

Creators: Daniel S. Karls
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/c3dca28e

Given an extended xyz file corresponding to a non-orthogonal periodic box of atoms, use LAMMPS to compute the total potential energy and atomic forces.

Test	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)
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3779
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3976
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	7141
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	5080
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3879
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	10086
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	11558
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3779
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	10528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	12074
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4123
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3690
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3779
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	10012
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	6111
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3591
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	12442
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3760
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	9497
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3750
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3779
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2798
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	5742
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	11632
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3534
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3681
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	6184
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3755
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3551
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3670
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	6258
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4638
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	7068
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3591
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	7436
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	11632
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	6405
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3902
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5669
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3760
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	6037
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3511
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	7141
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3755
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3591
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4785
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	11927
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3799
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	7215
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4123
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5963
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3387
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	11558
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3819
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	12442
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	11117
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4123
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3760
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3809
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3531
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2945
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4049
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4564
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2871
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3421
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	8098
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	9718
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4712
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2798
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	8761
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4785
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2798
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4712
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5080
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3441
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5963
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2356
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3750
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	6773
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	10086
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3976
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3760
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3690
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3521
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	6479
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	12736
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3976
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	6037
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3849
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	12442
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	10454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2871
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	12810
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3740
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	5595
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3501
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	7436
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	7583
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	8098
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3809
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2798
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3710
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3779
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3859
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	10675
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	6331
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	4049
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	4344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	4638
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3680
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	9423
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	8098
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3949

VacancyFormationEnergyRelaxationVolume__TD_647413317626_001

Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals v001

Creators:
Contributor: efuem
Publication Year: 2023
DOI: https://doi.org/10.25950/fca89cea

Computes the monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals.

Test	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)
Monovacancy formation energy and relaxation volume for diamond Si		view	236911

VacancyFormationMigration__TD_554849987965_001

Vacancy formation and migration energies for cubic and hcp monoatomic crystals v001

Creators:
Contributor: efuem
Publication Year: 2023
DOI: https://doi.org/10.25950/c27ba3cd

Computes the monovacancy formation and migration energies for cubic and hcp monoatomic crystals.

Test	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)
Vacancy formation and migration energy for diamond Si		view	3655626

Errors

ElasticConstantsHexagonal__TD_612503193866_004

Test	Error Categories	Link to Error page
Elastic constants for hcp Si at zero temperature v004	other	view

EquilibriumCrystalStructure__TD_457028483760_002

Test	Error Categories	Link to Error page
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hR8_148_cf v002	other	view

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MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001

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BCC Lattice Constant

Cohesive Energy Graph

Diamond Lattice Constant

Dislocation Core Energies

FCC Elastic Constants

FCC Lattice Constant

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SC Lattice Constant

Cubic Crystal Basic Properties Table

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