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Morse_Shifted__MD_552566534109_004

Title
A single sentence description.
Morse pair potential shifted to zero energy at cutoff separation v004
Description This Model Driver implements the Morse pair potential. It takes four parameters: (1) the cutoff separation in angstroms, (2) the epsilon parameter in eV, (3) the C parameter in inverse angstroms, and (4) the equilibrium pair separation 'Rzero' in angstroms. The potential is shifted in energy so that it takes a value of zero eV at the cutoff separation.
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
Contributor Ryan
Maintainer Ryan
Creator Ryan S. Elliott and Yaser Afshar
Publication Year 2020
Item Citation

This Model Driver originally published in [1] is archived in OpenKIM [2-4].

[1] 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

[2] Morse pair potential shifted to zero energy at cutoff separation v004. OpenKIM; 2020. doi:10.25950/dd56cab5

[3] 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

[4] 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.
MD_552566534109_004
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.
Morse_Shifted__MD_552566534109_004
DOI 10.25950/dd56cab5
https://doi.org/10.25950/dd56cab5
https://search.datacite.org/works/10.25950/dd56cab5
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C
Previous Version Morse_Shifted__MD_552566534109_003

Models using this Model Driver

Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ag__MO_111986436268_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cs__MO_187111446479_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_K__MO_836927321152_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Na__MO_587469264453_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Rb__MO_908110223949_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Sr__MO_497591319122_004
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_W__MO_646516726498_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ba__MO_143487634619_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ca__MO_887105884651_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cr__MO_483480726117_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cs__MO_256406354561_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_K__MO_749732139672_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Na__MO_707981543254_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Pb__MO_534638645497_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_004
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_W__MO_489351836217_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cr__MO_245813471114_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cs__MO_999639780744_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Na__MO_636041334617_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Rb__MO_147245690895_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Sr__MO_964297938209_004
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_004
Morse_Shifted_Glyde_1970_Ne__MO_169434419764_004
Morse_Shifted_Jelinek_1972_Ar__MO_831902330215_004


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