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Tersoff_LAMMPS_Tersoff_PRB39_1989_GeSi__MO_350526375143_000

Interatomic potential for Germanium (Ge), Silicon (Si).
Use this Potential

Title
A single sentence description.
Tersoff's silicon germanium potential (PRB 39, 1989)
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's silicon germanium potential (PRB 39, 1989).
Species
The supported atomic species.
Ge, 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 2015
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MO_350526375143_000
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
Tersoff_LAMMPS_Tersoff_PRB39_1989_GeSi__MO_350526375143_000
Citable Link https://openkim.org/cite/MO_350526375143_000
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
DriverTersoff_LAMMPS__MD_077075034781_001
KIM API Version1.6

(Click here to learn more about Verification Checks)

Grade Name Category Brief Description Full Results Aux File(s)
P vc-species-supported-as-stated mandatory
The model supports all species it claims to support; see full description.
Results Files
P vc-periodicity-support mandatory
Periodic boundary conditions are handled correctly; see full description.
Results Files
P vc-permutation-symmetry mandatory
Total energy and forces are unchanged when swapping atoms of the same species; see full description.
Results Files
A vc-forces-numerical-derivative consistency
Forces computed by the model agree with numerical derivatives of the energy; see full description.
Results Files
P vc-dimer-continuity-c1 informational
The energy versus separation relation of a pair of atoms is C1 continuous (i.e. the function and its first derivative are continuous); see full description.
Results Files
P vc-objectivity informational
Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.
Results Files
P vc-inversion-symmetry informational
Total energy is unchanged and forces change sign when inverting a configuration through the origin; see full description.
Results Files
P vc-memory-leak informational
The model code does not have memory leaks (i.e. it releases all allocated memory at the end); see full description.
Results Files
P vc-thread-safe mandatory
The model returns the same energy and forces when computed in serial and when using parallel threads for a set of configurations. Note that this is not a guarantee of thread safety; see full description.
Results Files


BCC Lattice Constant

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

(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: Ge

Species: Si





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 Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random 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 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 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
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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
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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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 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
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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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
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 310
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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 207
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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
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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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
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 345
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 172
Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 310
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 310
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
Conjugate gradient relaxation of random atomic cluster of Si atoms view 241
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 172
Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 207
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
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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
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 310
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Conjugate gradient relaxation of random atomic cluster of Si atoms view 276
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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 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 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 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 138
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 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 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 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 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 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 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 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 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 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 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 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 172
Conjugate gradient relaxation of random atomic cluster of Si atoms view 345
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 379
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 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 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 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 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 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 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 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 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 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 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 379
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 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 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 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 310
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 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 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 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 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 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 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 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 207
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 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 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 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


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 22077


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 Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Potential energy and atomic forces of periodic, non-orthogonal cell of 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 1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 2035
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 1725
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 1725
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 1587
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 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 1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1725
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 1380
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 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 1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1932
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 1518
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 1518
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 1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1725
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 1138
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 1656
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 1587
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 1621
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 1449
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 1690
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 1932
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 1725
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 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1173
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1725
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 1138
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 1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1932
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 1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure view 1725
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 1449
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 1759
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 1311
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 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 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 1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc 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 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 1449
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 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 1276
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 1483
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 1518
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 1311
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 1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure view 1138
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 2070
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 1345
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 1518
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 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 1828
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 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 1449
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 1518
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 2070
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 1345
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 1725
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 1380
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 1414
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 1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure view 1104
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 1414
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 1759
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 1863
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 1759
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 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 1690
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 1276
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 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 1828
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 1621
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 1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure view 2035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure view 1966
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 1932
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 1863
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 1759
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 1587
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 1380
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 1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure view 1242
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 1759
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 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 random structure view 1621
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 1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure view 1483
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 1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure view 1345
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 1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure view 1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure view 1725
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 1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure view 1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure view 1725
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 2001
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 1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure view 1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure view 1552
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 1759
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 1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure view 2173
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 1656
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 2001
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 1449
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 2070
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 1863
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 2070
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure view 1587





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