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LJ_ElliottAkerson_2015_Universal__MO_959249795837_003

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 (Fl), 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 (Lv), Livermorium-Uuh (Uuh), Lutetium (Lu), Magnesium (Mg), Manganese (Mn), Meitnerium (Mt), Mendelevium (Md), Mercury (Hg), Molybdenum (Mo), Moscovium (Mc), Moscovium-Uup (Uup), Neodymium (Nd), Neon (Ne), Neptunium (Np), Nickel (Ni), Nihonium (Nh), Nihonium-Uut (Uut), Niobium (Nb), Nitrogen (N), Nobelium (No), Oganesson (Og), 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 (Ts), 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 developed by Elliott and Akerson (2015) v003
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, Fl, Fm, Fr, Ga, Gd, Ge, H, He, Hf, Hg, Ho, Hs, I, In, Ir, K, Kr, La, Li, Lr, Lu, Lv, Mc, Md, Mg, Mn, Mo, Mt, N, Na, Nb, Nd, Ne, Nh, Ni, No, Np, O, Og, 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, Ts, 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 S. Elliott
Maintainer Ryan S. Elliott
Publication Year 2018
How to Cite

This Model originally published in [1-3] is archived in OpenKIM [4-7].

[1] Jones JE. On the Determination of Molecular Fields. I. From the Variation of the Viscosity of a Gas with Temperature. Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences. 1924;106(738):441–62. doi:10.1098/rspa.1924.0081

[2] Jones JE. On the Determination of Molecular Fields. II. From the Equation of State of a Gas. Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences. 1924;106(738):463–77. doi:10.1098/rspa.1924.0082

[3] Lennard-Jones JE. On the Forces between Atoms and Ions. Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences. 1925;109(752):584–497. doi:10.1098/rspa.1925.0147

[4] Efficient ’universal’ shifted Lennard-Jones model for all KIM API supported species developed by Elliott and Akerson (2015) v003. OpenKIM; 2018. doi:10.25950/962b4967

[5] Efficient multi-species Lennard-Jones model with truncated or shifted cutoff v003. OpenKIM; 2018. doi:10.25950/ac258694

[6] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[7] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MO_959249795837_003
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
DOI 10.25950/962b4967
https://doi.org/10.25950/962b4967
https://search.datacite.org/works/10.25950/962b4967
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 LJ__MD_414112407348_003
DriverLJ__MD_414112407348_003
KIM API Version2.0
Potential Type lj
Previous Version LJ_ElliottAkerson_2015_Universal__MO_959249795837_002

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade Name Category Brief Description Full Results Aux File(s)
P vc-species-supported-as-stated mandatory
The model supports all species it claims to support; see full description.
Results Files
N/A vc-periodicity-support mandatory
Periodic boundary conditions are handled correctly; see full description.
Results Files
N/A vc-permutation-symmetry mandatory
Total energy and forces are unchanged when swapping atoms of the same species; see full description.
Results Files
N/A 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
N/A vc-objectivity informational
Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.
Results Files
N/A vc-inversion-symmetry informational
Total energy is unchanged and forces change sign when inverting a configuration through the origin; see full description.
Results Files
N/A 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
P vc-unit-conversion mandatory
The model is able to correctly convert its energy and/or forces to different unit sets; see full description.
Results Files

Visualizers (in-page)


BCC Lattice Constant

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

Species: Cm
Species: S
Species: Sm
Species: Fr
Species: At
Species: Rb
Species: Ho
Species: Na
Species: Si
Species: He
Species: Pa
Species: Sb
Species: Mn
Species: Nd
Species: Ar
Species: Pu
Species: I
Species: Bi
Species: Ac
Species: Ba
Species: Np
Species: Co
Species: Mg
Species: Cd
Species: Zn
Species: P
Species: Tb
Species: Se
Species: Pm
Species: O
Species: Ru
Species: Rh
Species: Ca
Species: Mo
Species: Al
Species: H
Species: Ti
Species: U
Species: F
Species: Lu
Species: Cl
Species: N
Species: Be
Species: Ce
Species: Yb
Species: W
Species: Nb
Species: Li
Species: La
Species: Hf
Species: Sn
Species: Ga
Species: Sc
Species: Ra
Species: Po
Species: Fe
Species: Hg
Species: Tl
Species: Gd
Species: Th
Species: Cs
Species: K
Species: Pt
Species: Ne
Species: Dy
Species: Am
Species: Ni
Species: Te
Species: Cu
Species: Cf
Species: Cr
Species: Md
Species: Sr
Species: Pd
Species: Er
Species: Ta
Species: Au
Species: Es
Species: In
Species: Tc
Species: V
Species: Kr
Species: Eu
Species: Y
Species: Rn
Species: Bk
Species: Ge
Species: C
Species: Tm
Species: Ag
Species: Br
Species: Ir
Species: Pb
Species: No
Species: B
Species: Os
Species: Zr
Species: As
Species: Re
Species: Lr
Species: Pr
Species: Fm
Species: Xe


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: Ar
Species: Tc
Species: Ce
Species: Kr
Species: At
Species: Nd
Species: Se
Species: U
Species: Li
Species: Lr
Species: Si
Species: W
Species: Np
Species: B
Species: Pt
Species: K
Species: Tb
Species: Cr
Species: Ra
Species: Ag
Species: Cl
Species: Nb
Species: Ru
Species: La
Species: Fm
Species: Te
Species: Sc
Species: Zr
Species: Er
Species: S
Species: Eu
Species: Pd
Species: Th
Species: Pb
Species: Zn
Species: Hf
Species: Ni
Species: Cf
Species: C
Species: Y
Species: Be
Species: Sb
Species: Am
Species: No
Species: Mg
Species: Fr
Species: Rn
Species: Ta
Species: O
Species: Hg
Species: Tl
Species: Yb
Species: Es
Species: Gd
Species: Bk
Species: Cm
Species: Ge
Species: Tm
Species: V
Species: Xe
Species: N
Species: Rh
Species: Co
Species: Al
Species: Br
Species: Au
Species: Sr
Species: Os
Species: Cs
Species: Ga
Species: In
Species: Po
Species: Cd
Species: Rb
Species: Bi
Species: Dy
Species: Ba
Species: Sn
Species: Ac
Species: Pa
Species: Mn
Species: Md
Species: Sm
Species: Ir
Species: As
Species: Re
Species: Pu
Species: I
Species: Lu
Species: Ca
Species: Ho
Species: P
Species: Pm
Species: Fe
Species: Cu
Species: Na
Species: Ti
Species: Pr
Species: Mo


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: Er
Species: C
Species: Po
Species: Sc
Species: I
Species: Na
Species: Bk
Species: Ta
Species: As
Species: Cl
Species: N
Species: Pt
Species: Se
Species: Au
Species: F
Species: Kr
Species: Tl
Species: Os
Species: He
Species: Hf
Species: H
Species: Md
Species: Cf
Species: Lr
Species: V
Species: Zn
Species: Cu
Species: Np
Species: La
Species: Pr
Species: K
Species: Co
Species: Mn
Species: Ne
Species: Sm
Species: Y
Species: Tc
Species: Ir
Species: Gd
Species: Cd
Species: Fr
Species: Dy
Species: Rb
Species: Sb
Species: Ba
Species: Ac
Species: Am
Species: Xe
Species: Ge
Species: Fe
Species: In
Species: W
Species: Ho
Species: Yb
Species: Pa
Species: Ag
Species: Zr
Species: Sn
Species: Nd
Species: Ce
Species: Cs
Species: Mg
Species: Bi
Species: Cm
Species: P
Species: Pb
Species: Hg
Species: Cr
Species: O
Species: Ga
Species: Sr
Species: Al
Species: S
Species: Tb
Species: Re
Species: Th
Species: Fm
Species: Br
Species: Li
Species: Tm
Species: Ra
Species: Ti
Species: Nb
Species: Pm
Species: Mo
Species: Pd
Species: Es
Species: Eu
Species: Ni
Species: Ar
Species: At
Species: Lu
Species: No
Species: Rh
Species: Ru
Species: Pu
Species: Ca
Species: U
Species: Be
Species: B
Species: Rn
Species: Si
Species: Te


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: Cd
Species: Ar
Species: Pd
Species: Lr
Species: As
Species: Ga
Species: Mo
Species: Fm
Species: Np
Species: Pu
Species: Gd
Species: Cm
Species: In
Species: N
Species: V
Species: I
Species: Se
Species: La
Species: Rh
Species: Fe
Species: Te
Species: Pa
Species: Cl
Species: Sc
Species: Co
Species: W
Species: K
Species: P
Species: Ce
Species: Tm
Species: Cs
Species: Ho
Species: Pm
Species: Xe
Species: Pr
Species: H
Species: Ru
Species: Pt
Species: B
Species: user01
Species: Rb
Species: Bk
Species: Sm
Species: Cr
Species: Y
Species: Zn
Species: Ag
Species: Mn
Species: Md
Species: Hg
Species: Ca
Species: O
Species: Fr
Species: Nd
Species: Lu
Species: Rn
Species: Po
Species: Ba
Species: At
Species: Eu
Species: Cu
Species: Cf
Species: Nb
Species: Br
Species: Os
Species: Dy
Species: Si
Species: Al
Species: Ne
Species: Tl
Species: Am
Species: Mg
Species: Ra
Species: Er
Species: Ac
Species: Ta
Species: Sr
Species: Kr
Species: Au
Species: Ir
Species: Li
Species: F
Species: Hf
Species: Bi
Species: Th
Species: Yb
Species: He
Species: S
Species: Pb
Species: Be
Species: Ti
Species: Re
Species: U
Species: Zr
Species: Na
Species: C
Species: Ni
Species: Tb
Species: Sb
Species: Tc
Species: Sn
Species: Ge
Species: No
Species: Es


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: Pa
Species: Kr
Species: Au
Species: C
Species: Fe
Species: Os
Species: Ag
Species: No
Species: H
Species: Tc
Species: Pr
Species: Ac
Species: Pm
Species: B
Species: Ta
Species: Nd
Species: Al
Species: Fm
Species: Ru
Species: Si
Species: Tb
Species: Lu
Species: Zn
Species: Ce
Species: Mo
Species: Tm
Species: Ge
Species: Np
Species: Hg
Species: S
Species: F
Species: Ga
Species: Eu
Species: Cd
Species: Cl
Species: Ho
Species: Rn
Species: Cm
Species: Pu
Species: Ra
Species: Re
Species: Se
Species: Sb
Species: Cs
Species: As
Species: Pd
Species: N
Species: Co
Species: Rb
Species: Tl
Species: Mn
Species: user01
Species: Ba
Species: Pb
Species: Na
Species: Hf
Species: Be
Species: Mg
Species: Pt
Species: Yb
Species: Es
Species: W
Species: Er
Species: Nb
Species: Cu
Species: U
Species: Ni
Species: Gd
Species: Bi
Species: Md
Species: I
Species: Li
Species: Am
Species: Xe
Species: Ne
Species: O
Species: Te
Species: Y
Species: V
Species: Th
Species: Fr
Species: Lr
Species: Ir
Species: At
Species: Sc
Species: Ca
Species: Br
Species: K
Species: P
Species: Sn
Species: Cr
Species: Po
Species: Bk
Species: He
Species: Sr
Species: La
Species: Zr
Species: Rh
Species: Ar
Species: Dy
Species: Cf
Species: In
Species: Sm
Species: Ti


FCC Stacking Fault Energies

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

Species: Ac
Species: Es
Species: Th
Species: Ca
Species: Sr
Species: Yb


FCC Surface Energies

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

Species: Pb
Species: Ir
Species: Kr
Species: user01
Species: Au
Species: Rh
Species: Yb
Species: Pd
Species: Sr
Species: Cu
Species: Ce
Species: Ni
Species: Ar
Species: Ag
Species: Al
Species: Xe
Species: Pt
Species: Ac
Species: Ne
Species: Th
Species: Ca


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: Gd
Species: Fr
Species: Ir
Species: Bk
Species: Th
Species: B
Species: Lu
Species: Co
Species: Te
Species: N
Species: Sc
Species: P
Species: Ag
Species: F
Species: Xe
Species: Sn
Species: Br
Species: U
Species: Be
Species: Pt
Species: Cm
Species: Es
Species: Cs
Species: Li
Species: S
Species: K
Species: Ga
Species: La
Species: Fe
Species: Cf
Species: Mg
Species: He
Species: Sr
Species: O
Species: Mo
Species: Ru
Species: Cd
Species: Zr
Species: As
Species: Ni
Species: Pr
Species: In
Species: Bi
Species: V
Species: Cr
Species: Ar
Species: Re
Species: Lr
Species: Md
Species: Nd
Species: Ba
Species: Cl
Species: Yb
Species: Hg
Species: Rb
Species: Kr
Species: Pu
Species: Ca
Species: C
Species: Er
Species: Ra
Species: Ac
Species: Tc
Species: Fm
Species: W
Species: Tm
Species: Rh
Species: Np
Species: Tb
Species: Hf
Species: Si
Species: At
Species: Au
Species: Cu
Species: Y
Species: Po
Species: Ho
Species: No
Species: Os
Species: Sm
Species: Tl
Species: I
Species: Pb
Species: Ta
Species: Ti
Species: Pa
Species: Dy
Species: Am
Species: Pm
Species: Al
Species: Mn
Species: Na
Species: H
Species: Se
Species: Pd
Species: Nb
Species: Eu
Species: Rn
Species: Ne
Species: Zn
Species: Sb
Species: Ge
Species: Ce


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: Fl

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: Lv

Species: Mc

Species: Md

Species: Mg

Species: Mn

Species: Mo

Species: Mt

Species: N

Species: Na

Species: Nb

Species: Nd

Species: Ne

Species: Nh

Species: Ni

Species: No

Species: Np

Species: O

Species: Og

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

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Species: W

Species: Xe

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Species: Zn

Species: Zr

Species: electron

Species: user01

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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 v003

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

Given an xyz file corresponding to a finite cluster of atoms, this Test Driver computes the total potential energy and atomic forces on the configuration. The positions are then relaxed using conjugate gradient minimization and the final positions and forces are recorded. These results are primarily of interest for training machine-learning algorithms.
Test Test Results Link to Test Results page Benchmark time
Usertime muliplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1727
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1759
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1216
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1184
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1152
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1599
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1120
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1823
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1120
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1855
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1535
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 2143
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1791
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1695
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1503
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1567
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1440
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1408
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1663
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1471
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1376
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1631
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1312
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1344
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1280
Conjugate gradient relaxation of random finite cluster of Si atoms v003 view 1248
Conjugate gradient relaxation of random finite cluster of Si atoms v003