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MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_000

Interatomic potential for Silicon (Si).
Use this Potential

Title
A single sentence description.
 MEAM potential for Si developed by Huang et al. (2018) 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.
An improved modified embedded-atom method (MEAM) potential for Si was optimized. The melting point, the solid-liquid phase transformation enthalpy, the pair correlation function, the structure factor, and the bond angle distribution function of liquid Si calculated by the present potential could fit the DFT or experimental values well. The potential could be used to study the solid-liquid transformation behaviors and the liquid structure of Si. It could also be used to develop a MEAM potential for the binary Al-Si alloy.
Species
The supported atomic species.
Si
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Content Origin Files are provided by Xiusong Huang (Tsinghua University) on Feb 8, 2021, and posted with his permission.
Contributor Yaser Afshar
Maintainer Yaser Afshar
Developer Xiusong Huang
Xixi Dong
Lehua Liu
Peijie Li
Published on KIM 2021
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MO_050147023220_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_HuangDongLiu_2018_Si__MO_050147023220_000
DOI 10.25950/9ed7c77d
https://doi.org/10.25950/9ed7c77d
https://commons.datacite.org/doi.org/10.25950/9ed7c77d
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
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
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: 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


Dislocation Core Energies

This graph shows the dislocation core energy of a cubic crystal at zero temperature and pressure for a specific set of dislocation core cutoff radii. After obtaining the total energy of the system from conjugate gradient minimizations, non-singular, isotropic and anisotropic elasticity are applied to obtain the dislocation core energy for each of these supercells with different dipole distances. Graphs are generated for each species supported by the model.

(No matching species)

FCC Elastic Constants

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

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


ClusterEnergyAndForces__TD_000043093022_003
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 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1464
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1464
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 795
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 827
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 827
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 795
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 795
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 827
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 827
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 700
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1464
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1527
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 827
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1400
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 859
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 891
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1464
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1495
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1368
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 986
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1273
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 955
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1241
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1304
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1432
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 923
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1209
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1336
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1177
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1464
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1018
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1050
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1114
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1082
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1145

CohesiveEnergyVsLatticeConstant__TD_554653289799_003
Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003

Creators:
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/64cb38c5

This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic lattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings. The lattice spacings range from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and a_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice constant). The precise scaling and number of lattice spacings sampled between a_min and a_0 (a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and samplespacing_lower (N_upper and samplespacing_upper). Please see README.txt for further details.
Test Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Cohesive energy versus lattice constant curve for bcc Si v003 view 1591
Cohesive energy versus lattice constant curve for diamond Si v003 view 1973
Cohesive energy versus lattice constant curve for fcc Si v003 view 1654
Cohesive energy versus lattice constant curve for sc Si v003 view 1464

ElasticConstantsCubic__TD_011862047401_006
Elastic constants for cubic crystals at zero temperature and pressure v006

Creators: Junhao Li and Ellad Tadmor
Contributor: tadmor
Publication Year: 2019
DOI: https://doi.org/10.25950/5853fb8f

Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc, diamond) by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.
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)
Elastic constants for bcc Si at zero temperature v006 view 3659
Elastic constants for diamond Si at zero temperature v001 view 12981
Elastic constants for fcc Si at zero temperature v006 view 15049
Elastic constants for sc Si at zero temperature v006 view 3595

LatticeConstantCubicEnergy__TD_475411767977_007
Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure v007

Creators: Daniel S. Karls and Junhao Li
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/2765e3bf

Equilibrium lattice constant and cohesive energy of a cubic lattice at zero temperature and pressure.
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)
Equilibrium zero-temperature lattice constant for bcc Si v007 view 2482
Equilibrium zero-temperature lattice constant for diamond Si v007 view 2132
Equilibrium zero-temperature lattice constant for fcc Si v007 view 2004
Equilibrium zero-temperature lattice constant for sc Si v007 view 2068

LatticeConstantHexagonalEnergy__TD_942334626465_005
Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v005

Creators: Daniel S. Karls and Junhao Li
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/c339ca32

Calculates lattice constant of hexagonal bulk structures at zero temperature and pressure by using simplex minimization to minimize the potential energy.
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)
Equilibrium lattice constants for hcp Si v005 view 30894

LinearThermalExpansionCoeffCubic__TD_522633393614_001
Linear thermal expansion coefficient of cubic crystal structures v001

Creators: Mingjian Wen
Contributor: mjwen
Publication Year: 2019
DOI: https://doi.org/10.25950/fc69d82d

This Test Driver uses LAMMPS to compute the linear thermal expansion coefficient at a finite temperature under a given pressure for a cubic lattice (fcc, bcc, sc, diamond) of a single given species.
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)
Linear thermal expansion coefficient of diamond Si at 293.15 K under a pressure of 0 MPa v001 view 13363045

TriclinicPBCEnergyAndForces__TD_892847239811_003
Potential energy and atomic forces of periodic, non-orthogonal cell of atoms v003

Creators: Daniel S. Karls
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/c3dca28e

Given an extended xyz file corresponding to a non-orthogonal periodic box of atoms, use LAMMPS to compute the total potential energy and atomic forces.
Test Test Results Link to Test Results page Benchmark time
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1368
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1368
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1368
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1368
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 891
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 764
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1559
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1527
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 859
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1368
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 827
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1114
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 986
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1432
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1304
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 827
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 891
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1432
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1368
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1273
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1336
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1177
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1241
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1082
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 923
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 955
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1145
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 859
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 827
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 859
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003 view 1145


Errors

ElasticConstantsHexagonal__TD_612503193866_004
Test Error Categories Link to Error page
Elastic constants for hcp Si at zero temperature v004 other view


Files

CMakeLists.txt
LICENSE
Si.meam
elems.meam
kimprovenance.edn
kimspec.edn
library.meam

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