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MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000

Interatomic potential for Aluminum (Al), Copper (Cu), Iron (Fe), Magnesium (Mg), Silicon (Si).
Use this Potential

Title
A single sentence description.
MEAM potential for Al-Si-Mg-Cu-Fe alloys developed by Jelinek et al. (2012) 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 set of modified embedded-atom method (MEAM) potentials for the interactions between Al, Si, Mg, Cu, and Fe was developed from a combination of each element's MEAM potential in order to study metal alloying. Previously published MEAM parameters of single elements have been improved for a better agreement to the generalized stacking fault energy (GSFE) curves when compared with ab initio generated GSFE curves. The MEAM parameters for element pairs were constructed based on the structural and elastic properties of element pairs in the NaCl reference structure garnered from ab initio calculations, with adjustment to reproduce the ab initio heat of formation of the most stable binary compounds. The new MEAM potentials were validated by comparing the formation energies of defects, equilibrium volumes, elastic moduli, and heat of formation for several binary compounds with ab initio simulations and experiments. Single elements in their ground-state crystal structure were subjected to heating to test the potentials at elevated temperatures. An Al potential was modified to avoid the formation of an unphysical solid structure at high temperatures. The thermal expansion coefficient of a compound with the composition of AA 6061 alloy was evaluated and compared with experimental values. MEAM potential tests performed in this work, utilizing the universal atomistic simulation environment (ASE), are distributed to facilitate reproducibility of the results.
Species
The supported atomic species.
Al, Cu, Fe, Mg, 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 22-Sep-2017
Content Other Locations https://openkim.org/id/Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
Contributor Yaser Afshar
Maintainer Yaser Afshar
Developer Bohumir Jelinek
Sebastien Groh
Mark F. Horstemeyer
Jeff Houze
Seong-Gon Kim
Gregory J. Wagner
Amitava Moitra
Michael I. Baskes
Publication Year 2021
Item Citation

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

[1] Jelinek B, Groh S, Horstemeyer MF, Houze J, Kim SG, Wagner GJ, et al. Modified embedded atom method potential for Al, Si, Mg, Cu, and Fe alloys. Phys Rev B. 2012Jun;85:245102. doi:10.1103/PhysRevB.85.245102 — (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] MEAM potential for Al-Si-Mg-Cu-Fe alloys developed by Jelinek et al. (2012) v000. OpenKIM; 2021. doi:10.25950/576289c4

[3] The modified embedded atom method (MEAM) potential v000. OpenKIM; 2020. doi:10.25950/2c9d988b

[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_262519520678_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.
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
DOI 10.25950/576289c4
https://doi.org/10.25950/576289c4
https://search.datacite.org/works/10.25950/576289c4
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 MEAM_LAMMPS__MD_249792265679_000
DriverMEAM_LAMMPS__MD_249792265679_000
KIM API Version2.2
Potential Type meam

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
B 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
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
P 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: Cu
Species: Al
Species: Fe
Species: Mg
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: Mg
Species: Al
Species: Fe
Species: Cu
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: Mg
Species: Si
Species: Cu
Species: Fe
Species: Al


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
Species: Mg
Species: Fe
Species: Cu
Species: Al


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: Cu
Species: Fe
Species: Mg
Species: Al
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.

Species: Cu
Species: Al


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.

Species: Cu
Species: Al


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: Fe
Species: Cu
Species: Mg
Species: Al


Cubic Crystal Basic Properties Table

Species: Al

Species: Cu

Species: Fe

Species: Mg

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 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1801
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1232
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1832
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1832
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1801
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1295
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1832
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1106
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1295
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1895
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1990
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1295
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1801
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1832
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1232
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1801
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1895
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1990
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1232
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1295
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1548
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1801
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1801
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1169
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1674
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1769
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1422
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1327
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1264
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1295
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1358
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1453
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1485
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1706
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1737
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1579
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1611
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1390
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1643
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1516
Conjugate gradient relaxation of random finite cluster of Si atoms v003