MEAM potential for Si developed by Huang et al. (2018) v001

Xiusong Huang; Xixi Dong; Lehua Liu; Peijie Li

doi:10.25950/37ac753e

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MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_001

There is a newer version of this item. See MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002

Interatomic potential for Silicon (Si).
Use this Potential

Title A single sentence description.	MEAM potential for Si developed by Huang et al. (2018) v001
Description A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.	An improved modified embedded-atom method (MEAM) potential for Si was optimized. The melting point, the solid-liquid phase transformation enthalpy, the pair correlation function, the structure factor, and the bond angle distribution function of liquid Si calculated by the present potential could fit the DFT or experimental values well. The potential could be used to study the solid-liquid transformation behaviors and the liquid structure of Si. It could also be used to develop a MEAM potential for the binary Al-Si alloy.
Species The supported atomic species.	Si
Disclaimer A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.	None
Content Origin	Files are provided by Xiusong Huang (Tsinghua University) on Feb 8, 2021, and posted with his permission.

Contributor	Yaser Afshar
Maintainer	Yaser Afshar
Developer	Xiusong Huang Xixi Dong Lehua Liu Peijie Li
Published on KIM	2021
How to Cite	Click here to download this citation in BibTeX format.
Funding	Not available

Short KIM ID The unique KIM identifier code.	MO_050147023220_001
Extended KIM ID The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.	MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_001
DOI	10.25950/37ac753e https://doi.org/10.25950/37ac753e https://commons.datacite.org/doi.org/10.25950/37ac753e
KIM Item Type Specifies whether this is a Portable Model (software implementation of an interatomic model); Portable Model with parameter file (parameter file to be read in by a Model Driver); Model Driver (software implementation of an interatomic model that reads in parameters).	Portable Model using Model Driver MEAM_LAMMPS__MD_249792265679_001
Driver	MEAM_LAMMPS__MD_249792265679_001
KIM API Version	2.2
Potential Type	meam

Previous Version	MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_000

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 configurations.	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 7.18208e-10 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
F The model is C^0 continuous. This means that the model has continuous energy, but a discontinuous first derivative.	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
P Unit conversion successful	vc-unit-conversion	mandatory	The model is able to correctly convert its energy and/or forces to different unit sets; see full description.	Results	Files

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

Species: Si

Cohesive Energy Graph

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

Species: Si

Diamond Lattice Constant

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

Species: Si

Dislocation Core Energies

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

(No matching species)

FCC Elastic Constants

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

Species: Si

FCC Lattice Constant

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

Species: Si

FCC Stacking Fault Energies

This bar chart plot shows the intrinsic and extrinsic stacking fault energies as well as the unstable stacking and unstable twinning energies for face-centered cubic (fcc) predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

FCC Surface Energies

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

(No matching species)

SC Lattice Constant

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

Species: Si

Cubic Crystal Basic Properties Table

Species: Si

Tests

ClusterEnergyAndForces__TD_000043093022_003

Conjugate gradient relaxation of atomic cluster v003

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

Given an xyz file corresponding to a finite cluster of atoms, this Test Driver computes the total potential energy and atomic forces on the configuration. The positions are then relaxed using conjugate gradient minimization and the final positions and forces are recorded. These results are primarily of interest for training machine-learning algorithms.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3849
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3441
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2199
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2907
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2236
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3481
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2721
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3431
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1305
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3421
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3421
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3431
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3332
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3372
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3372
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2311
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2348
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3362
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2684
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3019
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1975
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2162
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2199
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3056
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2236
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3332
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2423
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3352
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1975
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3362
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2125
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1938
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3362
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1193
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2572
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2385
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2572
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2013
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2274
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2348
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2758
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2236
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3889
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2870
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1305
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3232
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3879
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3019
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2050
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3372
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2758
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2050
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3441
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2274
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1975
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2684
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2907
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3372
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3056
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3421
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3421
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3441
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2125
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3056
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3451
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3312
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2795
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2982
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3131
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3889
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3451
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2944
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2385
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2125
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3019
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2087
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2162
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2087
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3441
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3730
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3859
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2795
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3282
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3094
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2684
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2684
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3431
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3431
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2199
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2944
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3352
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2684
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2721
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3660
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1938
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2385
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3213
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3869
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1938
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2162
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3919
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3720
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2758
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2125
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3919
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3056
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2311
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3481
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3819
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3441
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3779
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2572
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2609
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3056
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3571
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2236
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3710
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2162
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3411
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2087
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2236
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2162
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2050
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3372
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3382
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2274
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2274
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3501
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1901
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3094
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3799
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2758
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3650
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2758
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3670
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3620
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2013
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1864
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3421
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3561
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3402
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3809
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3750
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2311
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2460
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1305
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2795
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2199
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1603
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3919
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3551
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3591
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3630
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2087
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2646
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3541
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3680
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3531
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3740
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3760
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3770
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3700
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2125
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3839
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3521
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1789
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3610
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3451
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1379
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1454
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1565
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3581
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1826
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1752
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3461
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	2534
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3600
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1677
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1528
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3471
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1342
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3392
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1416
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1640
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	1715
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3491
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3511
Conjugate gradient relaxation of random finite cluster of Si atoms v003	view	3690

CohesiveEnergyVsLatticeConstant__TD_554653289799_003

Cohesive energy versus lattice constant curve for monoatomic cubic lattices v003

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

This Test Driver uses LAMMPS to compute the cohesive energy of a given monoatomic cubic lattice (fcc, bcc, sc, or diamond) at a variety of lattice spacings. The lattice spacings range from a_min (=a_min_frac*a_0) to a_max (=a_max_frac*a_0) where a_0, a_min_frac, and a_max_frac are read from stdin (a_0 is typically approximately equal to the equilibrium lattice constant). The precise scaling and number of lattice spacings sampled between a_min and a_0 (a_0 and a_max) is specified by two additional parameters passed from stdin: N_lower and samplespacing_lower (N_upper and samplespacing_upper). Please see README.txt for further details.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Cohesive energy versus lattice constant curve for bcc Si v004	view	2994
Cohesive energy versus lattice constant curve for diamond Si v004	view	2735
Cohesive energy versus lattice constant curve for fcc Si v004	view	3313
Cohesive energy versus lattice constant curve for sc Si v004	view	2735

ElasticConstantsCubic__TD_011862047401_006

Elastic constants for cubic crystals at zero temperature and pressure v006

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

Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc, diamond) by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Elastic constants for bcc Si at zero temperature v006	view	6448
Elastic constants for diamond Si at zero temperature v001	view	35298
Elastic constants for fcc Si at zero temperature v006	view	33299
Elastic constants for sc Si at zero temperature v006	view	14263

EquilibriumCrystalStructure__TD_457028483760_000

Equilibrium structure and energy for a crystal structure at zero temperature and pressure v000

Creators:
Contributor: ilia
Publication Year: 2023
DOI: https://doi.org/10.25950/53ef2ea4

Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.

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 crystal structure and energy for Si in AFLOW crystal prototype A_cF136_227_aeg v000	view	4021078
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF4_225_a v000	view	84590
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF8_227_a v000	view	116026
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI12_229_d v000	view	253843
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI16_206_c v000	view	78553
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI82_217_acgh v000	view	476619
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cP46_223_cik v000	view	280494
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP1_191_a v000	view	59716
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP2_194_c v000	view	74798
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP4_194_f v000	view	86461
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP58_164_2d3i3j v000	view	212546
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP68_194_ef2h2kl v000	view	231316
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC164_15_e20f v000	view	1650529
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC16_12_4i v000	view	68320
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oC92_63_ce2f2g3h v000	view	404026
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oF16_69_gh v000	view	157545
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI4_141_a v000	view	60631
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI8_139_h v000	view	61105
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tP106_137_a5g4h v000	view	222776

LatticeConstantCubicEnergy__TD_475411767977_007

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

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

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

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Equilibrium zero-temperature lattice constant for bcc Si v007	view	9886
Equilibrium zero-temperature lattice constant for diamond Si v007	view	4734
Equilibrium zero-temperature lattice constant for fcc Si v007	view	10622
Equilibrium zero-temperature lattice constant for sc Si v007	view	10105

LatticeConstantHexagonalEnergy__TD_942334626465_005

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

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

Calculates lattice constant of hexagonal bulk structures at zero temperature and pressure by using simplex minimization to minimize the potential energy.

Test	Test Results	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Equilibrium lattice constants for hcp Si v005		view	103349

LinearThermalExpansionCoeffCubic__TD_522633393614_001

Linear thermal expansion coefficient of cubic crystal structures v001

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

This Test Driver uses LAMMPS to compute the linear thermal expansion coefficient at a finite temperature under a given pressure for a cubic lattice (fcc, bcc, sc, diamond) of a single given species.

Test	Test Results	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Linear thermal expansion coefficient of diamond Si at 293.15 K under a pressure of 0 MPa v001		view	36819406

TriclinicPBCEnergyAndForces__TD_892847239811_003

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

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

Given an extended xyz file corresponding to a non-orthogonal periodic box of atoms, use LAMMPS to compute the total potential energy and atomic forces.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3690
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2199
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3362
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3501
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3461
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3740
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1379
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2125
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3451
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3551
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1864
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2087
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1975
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2497
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2609
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3670
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2199
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3591
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3541
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3382
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2907
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1752
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2274
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2311
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1342
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3531
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3019
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3521
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1603
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2274
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3461
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2087
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2758
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3501
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3740
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3541
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1267
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3332
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3501
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2423
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3451
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1752
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1715
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3421
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2162
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1342
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3392
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3521
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2572
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3591
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1416
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2125
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1342
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1416
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3461
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3591
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2236
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2013
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3700
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3421
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3421
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3551
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3501
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3581
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2087
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1603
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1267
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1715
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1826
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2087
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3402
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3521
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3501
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1864
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2162
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3481
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3531
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1603
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3382
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1826
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3451
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2721
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2236
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3431
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3451
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3670
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1603
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3551
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3131
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1454
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2050
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3451
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3411
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3809
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3561
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3670
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1528
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2833
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3660
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3690
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3362
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1864
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1715
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3402
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1864
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2385
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1901
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1752
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2236
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2944
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2572
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2125
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1789
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1826
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3610
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1565
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2274
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3451
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1603
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3720
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1677
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3382
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2907
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1379
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3541
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3600
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2758
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1715
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3690
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3431
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3630
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1603
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3471
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1901
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1491
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3312
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3531
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3640
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3799

Errors

ElasticConstantsHexagonal__TD_612503193866_004

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

EquilibriumCrystalStructure__TD_457028483760_000

Test	Error Categories	Link to Error page
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP40_191_hjmno v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hR8_148_cf v000	other	view

No Driver

Verification Check	Error Categories	Link to Error page
MemoryLeak__VC_561022993723_004	other	view
PeriodicitySupport__VC_895061507745_004	other	view

Files

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

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MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_001.zip	Zip	Windows archive

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This Model requires a Model Driver. Archives for the Model Driver MEAM_LAMMPS__MD_249792265679_001 appear below.

MEAM_LAMMPS__MD_249792265679_001.txz	Tar+XZ	Linux and OS X archive
MEAM_LAMMPS__MD_249792265679_001.zip	Zip	Windows archive

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MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_001

Verification Check Dashboard

Visualizers (in-page)

BCC Lattice Constant

Cohesive Energy Graph

Diamond Lattice Constant

Dislocation Core Energies

FCC Elastic Constants

FCC Lattice Constant

FCC Stacking Fault Energies

FCC Surface Energies

SC Lattice Constant

Cubic Crystal Basic Properties Table

Tests

Errors

Files

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