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Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000

Interatomic potential for Silicon (Si).
Use this Potential

Title
A single sentence description.
LAMMPS Modified Tersoff potential for Si developed by Purja Pun and Mishin (2017) v000
Description An optimized interatomic potential has been constructed for silicon using a modified Tersoff model. The potential reproduces a wide range of properties of Si and improves over existing potentials with respect to point defect structures and energies, surface energies and reconstructions, thermal expansion, melting temperature, and other properties. The proposed potential is compared with three other potentials from the literature. The potentials demonstrate reasonable agreement with first-principles binding energies of small Si clusters as well as single-layer and bilayer silicenes. The four potentials are used to evaluate the thermal stability of free-standing silicenes in the form of nanoribbons, nanoflakes, and nanotubes. While single-layer silicene is found to be mechanically stable at zero Kelvin, it is predicted to become unstable and collapse at room temperature. By contrast, the bilayer silicene demonstrates a larger bending rigidity and remains stable at and even above room temperature. The results suggest that bilayer silicene might exist in a free-standing form at ambient conditions.
Species
The supported atomic species.
Si
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Content Origin LAMMPS package 12-Dec-2018
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Publication Year 2019
How to Cite

This Simulator Model originally published in [1] is archived in OpenKIM [2-4].

[1] Pun GPP, Mishin Y. Optimized interatomic potential for silicon and its application to thermal stability of silicene. Physical Review B [Internet]. 2017Jun;95(22):224103. Available from: https://link.aps.org/doi/10.1103/PhysRevB.95.224103 doi:10.1103/PhysRevB.95.224103 — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information.

[2] LAMMPS Modified Tersoff potential for Si developed by Purja Pun and Mishin (2017) v000. OpenKIM; 2019. doi:10.25950/63c34eb9

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
SM_184524061456_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.
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000
DOI 10.25950/63c34eb9
https://doi.org/10.25950/63c34eb9
https://search.datacite.org/works/10.25950/63c34eb9
KIM Item TypeSimulator Model
KIM API Version2.1
Simulator Name
The name of the simulator as defined in kimspec.edn.
LAMMPS
Potential Type tersoff
Simulator Potential tersoff/mod/c

Verification Check Dashboard

(Click here to learn more about Verification Checks)

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

Visualizers (in-page)


BCC Lattice Constant

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

Species: Si


Cohesive Energy Graph

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

Species: Si


Diamond Lattice Constant

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

Species: Si


FCC Elastic Constants

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

Species: Si


FCC Lattice Constant

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

Species: Si


FCC Stacking Fault Energies

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

(No matching species)

FCC Surface Energies

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

(No matching species)

SC Lattice Constant

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

Species: Si


Cubic Crystal Basic Properties Table

Species: Si



Tests



Conjugate gradient relaxation of atomic cluster v003

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

Given an xyz file corresponding to a finite cluster of atoms, this Test Driver computes the total potential energy and atomic forces on the configuration. The positions are then relaxed using conjugate gradient minimization and the final positions and forces are recorded. These results are primarily of interest for training machine-learning algorithms.
Test Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2879
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2047
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2911
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1983
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2111
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2847
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1951
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1983
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2047
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2047
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2079
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2015
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2111
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2879
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2847
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2079
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2047
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 3007
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1983
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2175
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1951
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2559
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2399
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2303
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2591
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2751
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2623
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2207
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2335
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2271
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2655
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2367
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2239
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2719
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2687
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2431
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2463
Conjugate gradient relaxation of random finite cluster of Si atoms v003