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LennardJones612_UniversalShifted__MO_959249795837_002

Interatomic potential for Actinium (Ac), Aluminum (Al), Americium (Am), Antimony (Sb), Argon (Ar), Arsenic (As), Astatine (At), Barium (Ba), Berkelium (Bk), Beryllium (Be), Bismuth (Bi), Bohrium (Bh), Boron (B), Bromine (Br), Cadmium (Cd), Calcium (Ca), Californium (Cf), Carbon (C), Cerium (Ce), Cesium (Cs), Chlorine (Cl), Chromium (Cr), Cobalt (Co), Copernicium (Cn), Copper (Cu), Curium (Cm), Darmstadtium (Ds), Dubnium (Db), Dysprosium (Dy), Einsteinium (Es), Erbium (Er), Europium (Eu), Fermium (Fm), Flerovium-Uuq (Uuq), Fluorine (F), Francium (Fr), Gadolinium (Gd), Gallium (Ga), Germanium (Ge), Gold (Au), Hafnium (Hf), Hassium (Hs), Helium (He), Holmium (Ho), Hydrogen (H), Indium (In), Iodine (I), Iridium (Ir), Iron (Fe), Krypton (Kr), Lanthanum (La), Lawrencium (Lr), Lead (Pb), Lithium (Li), Livermorium-Uuh (Uuh), Lutetium (Lu), Magnesium (Mg), Manganese (Mn), Meitnerium (Mt), Mendelevium (Md), Mercury (Hg), Molybdenum (Mo), Moscovium-Uup (Uup), Neodymium (Nd), Neon (Ne), Neptunium (Np), Nickel (Ni), Nihonium-Uut (Uut), Niobium (Nb), Nitrogen (N), Nobelium (No), Oganesson-Uuo (Uuo), Osmium (Os), Oxygen (O), Palladium (Pd), Phosphorus (P), Platinum (Pt), Plutonium (Pu), Polonium (Po), Potassium (K), Praseodymium (Pr), Promethium (Pm), Protactinium (Pa), Radium (Ra), Radon (Rn), Rhenium (Re), Rhodium (Rh), Roentgenium (Rg), Rubidium (Rb), Ruthenium (Ru), Rutherfordium (Rf), Samarium (Sm), Scandium (Sc), Seaborgium (Sg), Selenium (Se), Silicon (Si), Silver (Ag), Sodium (Na), Strontium (Sr), Sulfur (S), Tantalum (Ta), Technetium (Tc), Tellurium (Te), Tennessine-Uus (Uus), Terbium (Tb), Thallium (Tl), Thorium (Th), Thulium (Tm), Tin (Sn), Titanium (Ti), Tungsten (W), Uranium (U), Vanadium (V), Xenon (Xe), Ytterbium (Yb), Yttrium (Y), Zinc (Zn), Zirconium (Zr), electron (electron), user01 (user01), user02 (user02), user03 (user03), user04 (user04), user05 (user05), user06 (user06), user07 (user07), user08 (user08), user09 (user09), user10 (user10), user11 (user11), user12 (user12), user13 (user13), user14 (user14), user15 (user15), user16 (user16), user17 (user17), user18 (user18), user19 (user19), user20 (user20).
Use this Potential

Title
A single sentence description.
Efficient "universal" shifted Lennard-Jones model for all KIM API supported species
Description
A short description of the Model describing its key features including for example: type of model (pair potential, 3-body potential, EAM, etc.), modeled species (Ac, Ag, ..., Zr), intended purpose, origin, and so on.
This is a "Universal" parameterization for the LennardJones612 model driver for all species types supported by the KIM API. The parameterization uses a shifted cutoff so that all interactions have a continuous energy function at the cutoff radius. See the README and params files for more details.
Species
The supported atomic species.
Ac, Ag, Al, Am, Ar, As, At, Au, B, Ba, Be, Bh, Bi, Bk, Br, C, Ca, Cd, Ce, Cf, Cl, Cm, Cn, Co, Cr, Cs, Cu, Db, Ds, Dy, Er, Es, Eu, F, Fe, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Ni, No, Np, O, Os, P, Pa, Pb, Pd, Pm, Po, Pr, Pt, Pu, Ra, Rb, Re, Rf, Rg, Rh, Rn, Ru, S, Sb, Sc, Se, Sg, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, Uuh, Uuo, Uup, Uuq, Uus, Uut, V, W, Xe, Y, Yb, Zn, Zr, electron, user01, user02, user03, user04, user05, user06, user07, user08, user09, user10, user11, user12, user13, user14, user15, user16, user17, user18, user19, user20
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown.
Contributor Ryan
Maintainer Ryan
Creator Ryan S. Elliott
Publication Year 2018
Item Citation Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MO_959249795837_002
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.
LennardJones612_UniversalShifted__MO_959249795837_002
Citable Link https://openkim.org/cite/MO_959249795837_002
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 LennardJones612__MD_414112407348_002
DriverLennardJones612__MD_414112407348_002
KIM API Version1.6
Previous Version LennardJones612_UniversalShifted__MO_959249795837_001

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade Name Category Brief Description Full Results Aux File(s)
N/A vc-species-supported-as-stated mandatory
The model supports all species it claims to support; see full description.
Results Files
P vc-periodicity-support mandatory
Periodic boundary conditions are handled correctly; see full description.
Results Files
P vc-permutation-symmetry mandatory
Total energy and forces are unchanged when swapping atoms of the same species; see full description.
Results Files
C vc-forces-numerical-derivative consistency
Forces computed by the model agree with numerical derivatives of the energy; see full description.
Results Files
N/A vc-dimer-continuity-c1 informational
The energy versus separation relation of a pair of atoms is C1 continuous (i.e. the function and its first derivative are continuous); see full description.
Results Files
P vc-objectivity informational
Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.
Results Files
P vc-inversion-symmetry informational
Total energy is unchanged and forces change sign when inverting a configuration through the origin; see full description.
Results Files
P vc-memory-leak informational
The model code does not have memory leaks (i.e. it releases all allocated memory at the end); see full description.
Results Files
N/A vc-thread-safe mandatory
The model returns the same energy and forces when computed in serial and when using parallel threads for a set of configurations. Note that this is not a guarantee of thread safety; see full description.
Results Files

Visualizers (in-page)


BCC Lattice Constant

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

(No matching species)

Cohesive Energy Graph

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

(No matching species)

Diamond Lattice Constant

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

(No matching species)

FCC Elastic Constants

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

(No matching species)

FCC Lattice Constant

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

(No matching species)

FCC Stacking Fault Energies

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

(No matching species)

FCC Surface Energies

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

(No matching species)

SC Lattice Constant

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

(No matching species)

Cubic Crystal Basic Properties Table

Species: Ac

Species: Ag

Species: Al

Species: Am

Species: Ar

Species: As

Species: At

Species: Au

Species: B

Species: Ba

Species: Be

Species: Bh

Species: Bi

Species: Bk

Species: Br

Species: C

Species: Ca

Species: Cd

Species: Ce

Species: Cf

Species: Cl

Species: Cm

Species: Cn

Species: Co

Species: Cr

Species: Cs

Species: Cu

Species: Db

Species: Ds

Species: Dy

Species: Er

Species: Es

Species: Eu

Species: F

Species: Fe

Species: Fm

Species: Fr

Species: Ga

Species: Gd

Species: Ge

Species: H

Species: He

Species: Hf

Species: Hg

Species: Ho

Species: Hs

Species: I

Species: In

Species: Ir

Species: K

Species: Kr

Species: La

Species: Li

Species: Lr

Species: Lu

Species: Md

Species: Mg

Species: Mn

Species: Mo

Species: Mt

Species: N

Species: Na

Species: Nb

Species: Nd

Species: Ne

Species: Ni

Species: No

Species: Np

Species: O

Species: Os

Species: P

Species: Pa

Species: Pb

Species: Pd

Species: Pm

Species: Po

Species: Pr

Species: Pt

Species: Pu

Species: Ra

Species: Rb

Species: Re

Species: Rf

Species: Rg

Species: Rh

Species: Rn

Species: Ru

Species: S

Species: Sb

Species: Sc

Species: Se

Species: Sg

Species: Si

Species: Sm

Species: Sn

Species: Sr

Species: Ta

Species: Tb

Species: Tc

Species: Te

Species: Th

Species: Ti

Species: Tl

Species: Tm

Species: U

Species: Uuh

Species: Uuo

Species: Uup

Species: Uuq

Species: Uus

Species: Uut

Species: V

Species: W

Species: Xe

Species: Y

Species: Yb

Species: Zn

Species: Zr

Species: electron

Species: user01

Species: user02

Species: user03

Species: user04

Species: user05

Species: user06

Species: user07

Species: user08

Species: user09

Species: user10

Species: user11

Species: user12

Species: user13

Species: user14

Species: user15

Species: user16

Species: user17

Species: user18

Species: user19

Species: user20



Tests

Disclaimer From Model Developer

This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown.



Conjugate gradient relaxation of atomic cluster

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

Given an xyz file corresponding to a finite cluster of atoms, create a LAMMPS
file with the given positions/species and compute the total potential energy
and atomic forces.
Test Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 431
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 431
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 144
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 395
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 431
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 359
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 502
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 323
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms view 179
Conjugate gradient relaxation of random atomic cluster of Si atoms view 287
Conjugate gradient relaxation of random atomic cluster of Si atoms view 251
Conjugate gradient relaxation of random atomic cluster of Si atoms view 215
Conjugate gradient relaxation of random atomic cluster of Si atoms