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ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000

Interatomic potential for Silicon (Si).
Use this Potential

Title
A single sentence description.
 Three-body cluster potential for Si by Gong (1993) v000
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.
An empirical potential for silicon. Molecular-dynamics methods and simulated annealing techniques were used to study the structural properties of small silicon clusters with this potential. A detailed comparison has been made between the results and those obtained from other theoretical methods. It is found that the results are close to those obtained using ab initio techniques. A significant improvement over other empirical potentials is observed.
Species
The supported atomic species.
Si
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Kevin Schmalbach
Maintainer Kevin Schmalbach
Developer X G Gong
Published on KIM 2019
How to Cite

This Model originally published in [1] is archived in OpenKIM [2-5].

[1] Gong XG. Empirical-potential studies on the structural properties of small silicon clusters. Physical Review B. 1993;47(4):2329–32. doi:10.1103/PhysRevB.47.2329 — (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] Gong XG. Three-body cluster potential for Si by Gong (1993) v000. OpenKIM; 2019. doi:10.25950/7956f678

[3] Gong XG. Three-body cluster potential by Gong (1993) v000. OpenKIM; 2019. doi:10.25950/e549e4b7

[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 Not available
Short KIM ID
The unique KIM identifier code.
MO_407755720412_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000
DOI 10.25950/7956f678
https://doi.org/10.25950/7956f678
https://commons.datacite.org/doi.org/10.25950/7956f678
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 ThreeBodyCluster_Gong__MD_065419309200_000
DriverThreeBodyCluster_Gong__MD_065419309200_000
KIM API Version2.0
Potential Type gong

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade Name Category Brief Description Full Results Aux File(s)
P vc-species-supported-as-stated mandatory
The model supports all species it claims to support; see full description.
 Results Files
P vc-periodicity-support mandatory
Periodic boundary conditions are handled correctly; see full description.
 Results Files
P vc-permutation-symmetry mandatory
Total energy and forces are unchanged when swapping atoms of the same species; see full description.
 Results Files
A vc-forces-numerical-derivative consistency
Forces computed by the model agree with numerical derivatives of the energy; see full description.
 Results Files
P 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 vc-objectivity informational
Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.
 Results Files
P 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 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 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 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

Visualizers (in-page)


BCC Lattice Constant

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 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)
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1056
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1120
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2015
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1951
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1887
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1088
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1887
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1983
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1120
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1120
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1951
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1983
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1887
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1120
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1919
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503

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 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)
Cohesive energy versus lattice constant curve for bcc Si v004 view 2218
Cohesive energy versus lattice constant curve for diamond Si v004 view 1988
Cohesive energy versus lattice constant curve for fcc Si v004 view 2135
Cohesive energy versus lattice constant curve for sc Si v004 view 1989

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 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)
Elastic constants for bcc Si at zero temperature v006 view 1599
Elastic constants for diamond Si at zero temperature v001 view 4862
Elastic constants for fcc Si at zero temperature v006 view 4223
Elastic constants for sc Si at zero temperature v006 view 1887

ElasticConstantsHexagonal__TD_612503193866_004
Elastic constants for hexagonal crystals at zero temperature v004

Creators: Junhao Li
Contributor: jl2922
Publication Year: 2019
DOI: https://doi.org/10.25950/d794c746

Computes the elastic constants for hcp crystals 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 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)
Elastic constants for hcp Si at zero temperature v004 view 1401

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 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 crystal structure and energy for Si in AFLOW crystal prototype A_cF136_227_aeg v002 view 2255070
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF4_225_a v002 view 86872
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF8_227_a v002 view 101469
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI12_229_d v002 view 246923
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI16_206_c v002 view 56628
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI82_217_acgh v002 view 402110
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cP46_223_cik v002 view 273427
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP1_191_a v002 view 46178
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP2_194_c v002 view 66038
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP40_191_hjmno v002 view 114654
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP4_194_f v002 view 44051
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP58_164_2d3i3j v002 view 103839
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP68_194_ef2h2kl v002 view 123890
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC164_15_e20f v002 view 18561998
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC16_12_4i v002 view 70542
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oC92_63_ce2f2g3h v002 view 547326
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI4_141_a v002 view 44659
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI8_139_h v002 view 69645
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tP106_137_a5g4h v002 view 2355930

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 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 zero-temperature lattice constant for bcc Si v007 view 2239
Equilibrium zero-temperature lattice constant for diamond Si v007 view 3487
Equilibrium zero-temperature lattice constant for fcc Si v007 view 1919
Equilibrium zero-temperature lattice constant for sc Si v007 view 2495

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 16236

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 1304187

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 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)
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1823
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1184
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1823
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1695
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1184
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1216
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1184
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1855
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1727
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1823
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1216
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1216
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1791
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1152
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1088
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1855
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1184
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1631
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1919
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1727
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1695
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1567
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1727
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1280
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1855
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1599
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1791
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1440
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1535
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1216
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1376
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1248
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1727
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1408
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1855
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1663
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1791

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 133989

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 3835775


Errors

EquilibriumCrystalStructure__TD_457028483760_000

EquilibriumCrystalStructure__TD_457028483760_002

No Driver
Verification Check Error Categories Link to Error page
MemoryLeak__VC_561022993723_004 other view
PeriodicitySupport__VC_895061507745_004 other view


Files

CMakeLists.txt
Gong_1993_Si.params
LICENSE
README
kimprovenance.edn
kimspec.edn

Download

ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000.txz Tar+XZ Linux and OS X archive
ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000.zip Zip Windows archive

Download Dependency

This Model requires a Model Driver. Archives for the Model Driver ThreeBodyCluster_Gong__MD_065419309200_000 appear below.


ThreeBodyCluster_Gong__MD_065419309200_000.txz Tar+XZ Linux and OS X archive
ThreeBodyCluster_Gong__MD_065419309200_000.zip Zip Windows archive

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2019-05-13T20:35:15.168930 tadmor
2019-05-09T08:29:12.928578 Schma174