A three-body Stillinger-Weber (SW) Model (Parameterization) for Silicon

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Three_Body_Stillinger_Weber_Si__MO_405512056662_003

There is a newer version of this item. See SW_StillingerWeber_1985_Si__MO_405512056662_006

Interatomic potential for Silicon (Si).
Use this Potential

Title A single sentence description.	A three-body Stillinger-Weber (SW) Model (Parameterization) for Silicon
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.	This is a three-body Stillinger-Weber potential. The cohesive energy of silicon calculated through this model is 4.3364 eV. This is an exact replica of the model "Three_Body_Stillinger_Weber_Si__MO_405512056662_001" except that the second to last entry in the parameter file has been corrected from "-0.3333333" to "-0.3333333333333333" in order to maintain double precision accuracy of -1/3. This version update is to make this Model compatible with the Model Driver update to support multiple species. The functional form of the SW potential is written somewhat differently with a redefinition of of some parameters (e.g. A := A*epsilon). This Model corresponds to the Si.sw parameter file distributed with the LAMMPS package except that Si.sw uses epsilon=2.1683 and the KIM model uses 2.1682 (converted more precisely from 50 kcal/mol given in the SW paper). However, given the low accuracy of the source data, either is acceptable. Due to this difference, the Si.sw file from LAMMPS and the KIM model give slightly different results scaled by 2.1683/2.1682.
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

Contributor	Amit K. Singh
Maintainer	Amit K. Singh
Published on KIM	2016
How to Cite	Click here to download this citation in BibTeX format.
Funding	Not available

Short KIM ID The unique KIM identifier code.	MO_405512056662_003
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.	Three_Body_Stillinger_Weber_Si__MO_405512056662_003
Citable Link	https://openkim.org/cite/MO_405512056662_003
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 Three_Body_Stillinger_Weber__MD_335816936951_002
Driver	Three_Body_Stillinger_Weber__MD_335816936951_002
KIM API Version	1.6

Previous Version	Three_Body_Stillinger_Weber_Si__MO_405512056662_002

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade	Name	Category	Brief Description	Full Results	Aux File(s)
P All elements claimed by model are supported in at least one of the tested configrations.	vc-species-supported-as-stated	mandatory	The model supports all species it claims to support; see full description.	Results	Files
P Periodic boundary conditions were correctly supported for all configurations that the model was able to compute.	vc-periodicity-support	mandatory	Periodic boundary conditions are handled correctly; see full description.	Results	Files
P Model energy has permutation symmetry for all configurations the model was able to compute.	vc-permutation-symmetry	mandatory	Total energy and forces are unchanged when swapping atoms of the same species; see full description.	Results	Files
A The letter grade A was assigned because the normalized error in the computation was 3.61619e-09 compared with a machine precision of 2.22045e-16. The letter grade was based on 'score=log10(error/eps)', with ranges A=[0, 7.5], B=(7.5, 10.0], C=(10.0, 12.5], D=(12.5, 15.0), F>15.0. 'A' is the best grade, and 'F' indicates failure.	vc-forces-numerical-derivative	consistency	Forces computed by the model agree with numerical derivatives of the energy; see full description.	Results	Files
P The model is C^3 continuous. This means that the model has continuous energy and continuous derivatives at least up to order 3. (Derivatives beyond this order were not tested.)	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 Model energy and forces are invariant with respect to rigid-body motion (translation and rotation) for all configurations the model was able to compute.	vc-objectivity	informational	Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.	Results	Files
P Model energy has inversion symmetry for all configurations the model was able to compute.	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 No memory leak detected.	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 All threads give identical results for tested case. Model appears to be thread safe.	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

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

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.

(No matching species)

Cubic Crystal Basic Properties Table

Species: Si

Tests

ClusterEnergyAndForces__TD_000043093022_001

Conjugate gradient relaxation of atomic cluster

Creators: Daniel Karls
Contributor: karls
Publication Year: 2016
DOI: https://doi.org/

Given an xyz file corresponding to a finite cluster of atoms, create a LAMMPS
file with the given positions/species and compute the total potential energy
and atomic forces.

Test	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 atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	379
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	138
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	138
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	138
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	172
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	310
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	241
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	276
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	207
Conjugate gradient relaxation of random atomic cluster of Si atoms	view	345

CohesiveEnergyVsLatticeConstant__TD_554653289799_001

Cohesive energy versus lattice constant curve for monoatomic cubic lattice

Creators: Daniel Karls
Contributor: karls
Publication Year: 2016
DOI: https://doi.org/

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	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 Silicon	view	24000
Cohesive energy versus lattice constant curve for diamond Silicon	view	4562
Cohesive energy versus lattice constant curve for fcc Silicon	view	4339
Cohesive energy versus lattice constant curve for sc Silicon	view	4494

ElasticConstantsCubic__TD_011862047401_003

Elastic constants for cubic crystals at zero temperature

Creators: Junhao Li
Contributor: jl2922
Publication Year: 2017
DOI: https://doi.org/

Measures the cubic elastic constants for some common crystal types (fcc, bcc, sc) by calculating the hessian of the energy density with respect to strain. Error estimate is reported due to the numerical differentiation.

This version fixes the number of repeats in the species key.

Test	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	view	1652
Elastic constants for fcc Si at zero temperature	view	1859
Elastic constants for sc Si at zero temperature	view	1790

ElasticConstantsHexagonal__TD_612503193866_002

Elastic constants for hexagonal crystals at zero temperature

Creators: Junhao Li
Contributor: jl2922
Publication Year: 2017
DOI: https://doi.org/

Measures the hexagonal elastic constants for hcp structure by calculating the hessian of the energy density with respect to strain. Error estimate is reported due to the numerical differentiation.

This version fixes the number of repeats in the species key and the coordinate of the 2nd atom in the normed basis.

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 hcp Si at zero temperature		view	1292

LammpsExample2__TD_887699523131_002

LammpsExample2: energy-volume curve for monoatomic cubic lattice

Creators: Daniel Karls
Contributor: karls
Publication Year: 2014
DOI: https://doi.org/

This example Test Driver illustrates the use of LAMMPS in the openkim-pipeline
to compute an energy-volume curve (more specifically, a cohesive energy-lattice
constant curve) for a given cubic lattice (fcc, bcc, sc, diamond) of a single given
species. The curve is computed for lattice constants ranging from a_min to a_max,
with most samples being about a_0 (a_min, a_max, and a_0 are specified via stdin.
a_0 is typically approximately equal to the equilibrium lattice constant.). The precise
scaling of sample points going from a_min to a_0 and from a_0 to a_max is specified
by two separate parameters passed from stdin. 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)
LammpsExample2_diamond_Si: energy-volume curve of diamond Silicon		view	3745

LatticeConstantCubicEnergy__TD_475411767977_004

Equilibrium lattice constants for bulk cubic structures

Creators: Junhao Li
Contributor: jl2922
Publication Year: 2018
DOI: https://doi.org/

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

Test	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	view	1033
Equilibrium zero-temperature lattice constant for diamond Si	view	1824
Equilibrium zero-temperature lattice constant for fcc Si	view	13133
Equilibrium zero-temperature lattice constant for sc Si	view	11442

LatticeConstantHexagonalEnergy__TD_942334626465_003

Equilibrium lattice constants for hexagonal bulk structures

Creators: Junhao Li
Contributor: jl2922
Publication Year: 2017
DOI: https://doi.org/

Calculates lattice constant by minimizing energy function.

This version fixes the output format problems in species and stress, and adds support for PURE and OPBC neighbor lists. The cell used for calculation is switched from a hexagonal one to an orthorhombic one to comply with the requirement of OPBC.

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		view	6604

LatticeInvariantShearPathCubicCrystalCBKIM__TD_083627594945_001

Cohesive energy versus shear parameter relation for a cubic crystal

Creators: Jiadi Fan
Contributor: Jiadi
Publication Year: 2016
DOI: https://doi.org/

This test driver is used to test lattice invariance shear in a cubic crystal based on cb-kim code. Initial guess of lattice parameter, shear direction vector, shear plane normal vector, relaxation optional key need to be set as input. The output will be first PK stress, stiffness matrix, cohesive energy, and displacement of shuffle (if relaxation optional key is true)

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 <-1 1 0>{1 1 1}shear parameter relation for diamond Si		view	30528

LinearThermalExpansionCoeffCubic__TD_522633393614_000

Linear thermal expansion coefficient of a cubic crystal structure at a given temperature and pressure v000

Creators: Mingjian Wen
Contributor: mjwen
Publication Year: 2016
DOI: https://doi.org/

This Test Driver uses LAMMPS to compute the linear thermal expansion coefficient at a finite temperature under a given pressure for 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 room temperature under zero pressure		view	166651244

TriclinicPBCEnergyAndForces__TD_892847239811_001

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

Creators: Daniel Karls
Contributor: karls
Publication Year: 2014
DOI: https://doi.org/

Given an extended xyz file corresponding to a non-orthogonal periodic box of
atoms, create a LAMMPS file with the given positions/species and compute the
total potential energy and atomic forces.

Test	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 silicon atoms in a perturbed bcc structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1104
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed bcc structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1414
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1932
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1932
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1276
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1345
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1932
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2139
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2104
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1863
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1276
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1897
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	2035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1449
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1380
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1552
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed diamond structure	view	1932
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1483
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	2001
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1311
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1932
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1621
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed random structure	view	1828
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2035
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1794
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1966
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2242
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2208
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1725
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2104
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	2070
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1690
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1759
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1587
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1656
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1518
Potential energy and atomic forces of periodic, non-orthogonal cell of silicon atoms in a perturbed sh structure	view	1656

VacancyFormationEnergyRelaxationVolume__TD_647413317626_000

Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals

Creators: Junhao Li
Contributor: jl2922
Publication Year: 2018
DOI: https://doi.org/

Computes the monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals.

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)
Monovacancy formation energy and relaxation volume for diamond Si		view	190808

VacancyFormationMigration__TD_554849987965_000

Vacancy formation and migration energies for cubic and hcp monoatomic crystals

Creators:
Contributor: jl2922
Publication Year: 2018
DOI: https://doi.org/

Computes the monovacancy formation and migration energies for cubic and hcp monoatomic crystals.

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)
Vacancy formation and migration energy for diamond Si		view	386632

Errors

No Driver

Test	Error Categories	Link to Error page
Conjugate gradient relaxation of monovacancy in diamond silicon	other	view

Files

LICENSE.CDDL
Makefile
README
Three_Body_Stillinger_Weber_Si.params
kimprovenance.edn
kimspec.edn

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Three_Body_Stillinger_Weber_Si__MO_405512056662_003.txz	Tar+XZ	Linux and OS X archive
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## Parameter Choices in the SW Potential

In the original Stillinger-Weber paper (SW85: PRB 31:5262, 1985) it is stated that in order to obtain the correct "atomization energy" (cohesive energy) the following choice for epsilon must be made (see Eqn. (2.9) in [SW85]):

epsilon = 50 kcal/mol = 3.4723E-12 erg/atom

Unfortunately, there appears to be an error in the unit conversion here. (There is also an indeterminacy associated with the "kcal" unit which can mean different things.) The kcal and erg values have led to two different values for epsilon being used in articles that cite [SW85].

(a) If the kcal number is selected (assuming that S&W meant the thermochemical kcal unit), then epsilon = 2.1682 eV. This can be seen from the following conversion (which uses NIST conversion factors):

(50 kcal_th/mol)/(6.02214129 mol^-1) = 8.30269461E-23 kcal_th

8.30269461E-23 kcal_th x 4.184E+03 (J/kcal_th) = 3.47384742E-19 J

3.47384742E-19 J x 6.24150934E+18 (eV/J) = 2.168205112 eV

(b) If the erg number is selected, then epsilon = 2.1672 eV, which follows from:

3.4723E-12 erg x 6.24150934E+11 (eV/erg) = 2.16723929 eV

As noted above, both values have been used in simulations that cite the original [SW85] paper. However, it appears that S&W intended to use the 50 kcal_th/mol value since they refer to this number more than once in the paper. (See for example discussion after Eqn. (8.1) in [SW85].) Therefore we argue that the appropriate choice is

epsilon = 8.30269461E-23 kcal_th

or in eV units (reduced to 5-digit significant digits):

epsilon = 2.1682 eV

Note that in the Si.sw parameterization for this potential distributed with LAMMPS, a value of epsilon=2.1683 is used, which appears to be due to slightly different unit conversion.

Another source of confusion is that in [SW85] the potential is fitted to an incorrect value for the cohesive energy of silicon. This is corrected by Balamane in a 1992 paper. See <https://openkim.org/cite/MO_113686039439_002> for more details.

## SW Functions

See the Stillinger-Weber Model driver page (linked above) for the definition of the model and its functions. The graphs below are for the Stillinger-Weber parametrization for silicon.

The graph of function $$f_2$$ with the parameter values suggested by Stillinger and Weber ($$A=7.049556277$$, $$B=0.6022245584$$, $$p=4$$, $$q=0$$, $$a=1.80$$) is given in the following Figure:

![](/wimage/MO_405512056662_003/taru4uce/Figure1)

The contour plot of the function $$h$$ in $$f_3$$ for $$\theta=\cos^{-1}(-0.25)=104.48^\circ $$, as a function of $$r_{ij}$$ and $$r_{ik}$$ is given below:

![](/wimage/MO_405512056662_003/taru4uce/Figure2)

Wiki Contributors

2018-05-25T08:00:26.781888	tadmor
2018-05-25T07:54:57.169858	tadmor
2018-05-25T07:51:57.890282	tadmor
2018-05-25T07:50:00.248798	tadmor
2017-04-14T16:53:50	tadmor
2017-04-14T16:52:22	tadmor
2017-04-14T13:16:19	taru4uce
2017-04-13T22:03:23	taru4uce
2017-04-13T21:49:23	taru4uce
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2017-04-13T21:42:58	taru4uce
2017-04-13T21:42:18	taru4uce
2017-04-13T21:35:49	taru4uce

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