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Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000

Interatomic potential for Lithium (Li), Silicon (Si), Tin (Sn).
Use this Potential

Title
A single sentence description.
LAMMPS MEAM potential for Li-Si alloys developed by Cui et al. (2012) v000
Citations

This panel presents the list of papers that cite the interatomic potential whose page you are on (by its primary sources given below in "How to Cite").

Articles marked by the green star have been determined to have used the potential in computations (as opposed to only citing it as background information) by a machine learning (ML) algorithm developed by the KIM Team that analyzes the full text of the papers. Articles that do not use it are marked with a null symbol, and in cases where no information is available a question mark is shown.

The full text of the articles used to train the ML algorithm is provided by the Allen Institute for AI through the Semantic Scholar project.

The word cloud to the right is built from the abstracts of the primary sources and using papers to give a sense of the types of physical phenomena to which this interatomic potential is applied.

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Description A second nearest-neighbor modified embedded atom method (2NN MEAM) interatomic potential for lithium-silicon (Li-Si) alloys developed by using the particle swarm optimization (PSO) method in conjunction with ab initio calculations. This interatomic potential is capable of simulating the transition from disordered to ordered states of Li-Si crystalline structures, an indication of the stability and robustness of the interatomic potential at finite temperature. In the paper (Cui et al., J. Power Sources, 207:150-159, 2012), examples are given demonstrating that the new interatomic potential is also capable of predicting the material properties of both crystalline and amorphous Li-Si alloys, including the elastic modulus, compositional expansion, diffusivity of Li in Li-Si alloys, and plastic yield strength.
Species
The supported atomic species.
Li, Si, Sn
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Content Origin https://doi.org/10.1016/j.jpowsour.2012.01.145
https://doi.org/10.1088/0965-0393/20/1/015014
Content Other Locations https://openkim.org/id/MEAM_2NN_LiSi__MO_596436139350_001 (retired)
Contributor Joseph Vella
Maintainer Joseph Vella
Published on KIM 2020
How to Cite

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

[1] Cui Z, Gao F, Cui Z, Qu J. A second nearest-neighbor embedded atom method interatomic potential for Li-Si alloys. Journal of Power Sources. 2012;207:150–9. doi:10.1016/j.jpowsour.2012.01.145 — (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 MEAM potential for Li-Si alloys developed by Cui et al. (2012) v000. OpenKIM; 2020. doi:10.25950/bc3f3382

[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_562938628131_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_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
DOI 10.25950/bc3f3382
https://doi.org/10.25950/bc3f3382
https://search.datacite.org/works/10.25950/bc3f3382
KIM Item TypeSimulator Model
KIM API Version2.1
Simulator Name
The name of the simulator as defined in kimspec.edn.
LAMMPS
Potential Type meam
Simulator Potential meam/c

(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
N/A 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
F 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


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: Li
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
Species: Li


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
Species: Li


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: Li
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
Species: Li


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
Species: Li


Cubic Crystal Basic Properties Table

Species: Li

Species: Si

Species: Sn





Conjugate gradient relaxation of atomic cluster v003

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

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

Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1354
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
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 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1193
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 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1096
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
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 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1354
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1096
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1354
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
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 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
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 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
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 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
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 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
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 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
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 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1096
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1386
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1354
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
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 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
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 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
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 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
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 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
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 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1096
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
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 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1225
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1257
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1161
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1322
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1290
Conjugate gradient relaxation of random finite cluster of Si atoms v003