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EDIP__MD_506186535567_002

Title
A single sentence description.
Environment-Dependent Interatomic Potential (EDIP) model driver v002
Description This model driver is a C-based implementation of the three-body Environment Dependent Interatomic Potential (EDIP) developed by Martin Bazant and Efthemios Kaxiras and published in 1996, a bond-order potential primarily used to simulate a wide variety of structures and defects associated with silicon, carbon, and germanium. The implementation itself is based on version 1.1 of the C code published by Bazant on http://web.mit.edu/bazant/www/EDIP/index.html. All functional forms are evaluated analytically, i.e. no splines are used for evaluation.
Disclaimer
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None
Contributor Daniel S. Karls
Maintainer Daniel S. Karls
Implementer Daniel S. Karls
Developer Joao F. Justo
Martin Z. Bazant
Efthimios Kaxiras
Vasily V Bulatov
Sidney Yip
Published on KIM 2018
How to Cite

This Model Driver originally published in [1-3] is archived in OpenKIM [4-6].

[1] Bazant MZ, Kaxiras E. Modeling of Covalent Bonding in Solids by Inversion of Cohesive Energy Curves. Physical Review Letters. 1996Nov;77(21):4370–3. doi:10.1103/PhysRevLett.77.4370

[2] Bazant MZ, Kaxiras E, Justo JF. Environment-dependent interatomic potential for bulk silicon. Physical Review B. 1997Oct;56(14):8542–52. doi:10.1103/PhysRevB.56.8542

[3] Justo JF, Bazant MZ, Kaxiras E, Bulatov VV, Yip S. Interatomic potential for silicon defects and disordered phases. Physical Review B. 1998Aug;58(5):2539–50. doi:10.1103/PhysRevB.58.2539

[4] Karls DS, Justo JF, Bazant MZ, Kaxiras E, Bulatov VV, Yip S. Environment-Dependent Interatomic Potential (EDIP) model driver v002. OpenKIM; 2018. doi:10.25950/75c4686e

[5] 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

[6] 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_506186535567_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.
EDIP__MD_506186535567_002
DOI 10.25950/75c4686e
https://doi.org/10.25950/75c4686e
https://commons.datacite.org/doi.org/10.25950/75c4686e
KIM Item TypeModel Driver
KIM API Version2.0
Previous Version EDIP__MD_506186535567_001



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2024-05-07T15:03:32.809053419 karls
2024-03-29T18:00:03.663578575 karls
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