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SNAP_ZuoChenLi_2019_Si__MO_869330304805_000

Interatomic potential for Silicon (Si).
Use this Potential

Title
A single sentence description.
A spectral neighbor analysis potential for Si developed by Yunxing Zuo v000
Description
A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.
A spectral neighbor analysis potential for Si. The potential is trained against diverse and large materials data, including bulk diamond Si, strained diamond Si, ab-initio molecular dynamics (AIMD) simulated random structures, melted structures, vacancy-containing structures, surfaces. The potential gives accurate predictions of structural energies, forces, elasticity, lattice parameters, vacancy formation energy, equation-of-state, phonon.
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.
This potential is designed for Si diamond systems. It is not appropriate for other elements. The potential was trained using LAMMPS version 12Dec2018. Newer LAMMPS may see energy differences, but the relative values should remain to be the same.
Content Origin https://arxiv.org/abs/1906.08888
Contributor y9zuo
Maintainer y9zuo
Creator Yunxing Zuo
Publication Year 2020
Item Citation

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

[1] Zuo Y, Chen C, Li X, Deng Z, Chen Y, Behler J, et al. Performance and Cost Assessment of Machine Learning Interatomic Potentials. The Journal of Physical Chemistry A. 2020;124(4):731–45. doi:10.1021/acs.jpca.9b08723 — (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] A spectral neighbor analysis potential for Si developed by Yunxing Zuo v000. OpenKIM; 2020. doi:10.25950/ec76535e

[3] Spectral neighbor analysis potential (SNAP) model driver v000. OpenKIM; 2019. doi:10.25950/f4fae493

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

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

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MO_869330304805_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.
SNAP_ZuoChenLi_2019_Si__MO_869330304805_000
DOI 10.25950/ec76535e
https://doi.org/10.25950/ec76535e
https://search.datacite.org/works/10.25950/ec76535e
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 SNAP__MD_536750310735_000
DriverSNAP__MD_536750310735_000
KIM API Version2.0
Potential Type snap

Verification Check Dashboard

(Click here to learn more about Verification Checks)

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

Visualizers (in-page)


BCC Lattice Constant

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

Species: Si


Cohesive Energy Graph

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

Species: Si


Diamond Lattice Constant

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

Species: Si


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

Disclaimer From Model Developer

This potential is designed for Si diamond systems. It is not appropriate for other elements. The potential was trained using LAMMPS version 12Dec2018. Newer LAMMPS may see energy differences, but the relative values should remain to be the same.



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 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 564
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 501
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 533
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 533
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 564
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1253
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1253
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 595
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1222
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1222
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1222
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 783
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 689
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 721
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1253
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 846
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1285
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 877
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1285
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1191
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1159
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1003
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 815
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 627
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1285
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Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1128
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1222
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 940
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1097
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1065
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 752
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1034
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 658
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 971
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 909
Conjugate gradient relaxation of random finite cluster of Si atoms v003