Tersoff-style three-body potential for SiC by Erhart/Albe

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Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_001

There is a newer version of this item. See Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005

Interatomic potential for Carbon (C), Silicon (Si).
Use this Potential

Title A single sentence description.	Tersoff-style three-body potential for SiC by Erhart/Albe
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.	Tersoff-style three-body potential for silicon, carbon and silicon carbide by Erhart and Albe (2005).
Species The supported atomic species.	C, Si
Disclaimer A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.	None

Contributor	Tobias Brink
Maintainer	Tobias Brink
Published on KIM	2014
How to Cite	Click here to download this citation in BibTeX format.
Funding	Not available

Short KIM ID The unique KIM identifier code.	MO_903987585848_001
Extended KIM ID The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.	Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_001
Citable Link	https://openkim.org/cite/MO_903987585848_001
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 Tersoff_LAMMPS__MD_077075034781_001
Driver	Tersoff_LAMMPS__MD_077075034781_001
KIM API Version	1.6

Previous Version	Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_000

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade	Name	Category	Brief Description	Full Results	Aux File(s)
P All elements claimed by model are supported in at least one of the tested configrations.	vc-species-supported-as-stated	mandatory	The model supports all species it claims to support; see full description.	Results	Files
P Periodic boundary conditions were correctly supported for all configurations that the model was able to compute.	vc-periodicity-support	mandatory	Periodic boundary conditions are handled correctly; see full description.	Results	Files
P Model energy has permutation symmetry for all configurations the model was able to compute.	vc-permutation-symmetry	mandatory	Total energy and forces are unchanged when swapping atoms of the same species; see full description.	Results	Files
B The letter grade B was assigned because the normalized error in the computation was 2.46961e-08 compared with a machine precision of 2.22045e-16. The letter grade was based on 'score=log10(error/eps)', with ranges A=[0, 7.5], B=(7.5, 10.0], C=(10.0, 12.5], D=(12.5, 15.0), F>15.0. 'A' is the best grade, and 'F' indicates failure.	vc-forces-numerical-derivative	consistency	Forces computed by the model agree with numerical derivatives of the energy; see full description.	Results	Files
P The model is C^1 continuous. This means that the model has continuous energy and continuous first derivative.	vc-dimer-continuity-c1	informational	The energy versus separation relation of a pair of atoms is C1 continuous (i.e. the function and its first derivative are continuous); see full description.	Results	Files
P Model energy and forces are invariant with respect to rigid-body motion (translation and rotation) for all configurations the model was able to compute.	vc-objectivity	informational	Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.	Results	Files
P Model energy has inversion symmetry for all configurations the model was able to compute.	vc-inversion-symmetry	informational	Total energy is unchanged and forces change sign when inverting a configuration through the origin; see full description.	Results	Files
P No memory leak detected.	vc-memory-leak	informational	The model code does not have memory leaks (i.e. it releases all allocated memory at the end); see full description.	Results	Files
P All threads give identical results for tested case. Model appears to be thread safe.	vc-thread-safe	mandatory	The model returns the same energy and forces when computed in serial and when using parallel threads for a set of configurations. Note that this is not a guarantee of thread safety; see full description.	Results	Files

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

Cubic Crystal Basic Properties Table

Species: C

Species: Si

Tests

ClusterEnergyAndForces__TD_000043093022_001

Conjugate gradient relaxation of atomic cluster

Creators: Daniel Karls
Contributor: karls
Publication Year: 2016
DOI: https://doi.org/

Given an xyz file corresponding to a finite cluster of atoms, create a LAMMPS
file with the given positions/species and compute the total potential energy
and atomic forces.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	379
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	138
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	138
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276

LatticeConstant2DHexagonalEnergy__TD_034540307932_000

Cohesive energy and equilibrium lattice constant of hexagonal 2D crystalline layers

Creators: Ilia Nikiforov
Contributor: ilia
Publication Year: 2016
DOI: https://doi.org/

This Test Driver computes the equilibrium lattice spacing and cohesive energy of a 2D hexagonal monolayer crystal using Polak-Ribiere conjugate gradient minimization in LAMMPS. Through pipeline.stdin.tpl, the user supplies the choice of structure type, an initial guess at the equilibrium lattice spacing and the two atomic species comprising the crystal.

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 and equilibrium lattice constant of graphene		view	288

LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001

Cohesive energy versus shear parameter relation for a cubic crystal

Creators: Jiadi Fan
Contributor: Jiadi
Publication Year: 2016
DOI: https://doi.org/

This test driver is used to test lattice invariance shear in a cubic crystal based on cb-kim code. Initial guess of lattice parameter, shear direction vector, shear plane normal vector, relaxation optional key need to be set as input. The output will be first PK stress, stiffness matrix, cohesive energy, and displacement of shuffle (if relaxation optional key is true)

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 <-1 1 0>{1 1 1}shear parameter relation for diamond Si		view	74785

TriclinicPBCEnergyAndForces__TD_892847239811_001

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

Creators: Daniel Karls
Contributor: karls
Publication Year: 2014
DOI: https://doi.org/

Given an extended xyz file corresponding to a non-orthogonal periodic box of
atoms, create a LAMMPS file with the given positions/species and compute the
total potential energy and atomic forces.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	2104
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1207
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1104
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1207
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1276
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1104
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1276
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1138
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1173
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1276
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1276
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2070
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2139
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1207
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	2070
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1207
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2139
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1932
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1311

Errors

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Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_001

Verification Check Dashboard

Visualizers (in-page)

BCC Lattice Constant

Cohesive Energy Graph

Diamond Lattice Constant

Dislocation Core Energies

FCC Elastic Constants

FCC Lattice Constant

FCC Stacking Fault Energies

FCC Surface Energies

SC Lattice Constant

Cubic Crystal Basic Properties Table

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