Collaboration with the NIST IPRP

The Interatomic Potentials Repository Project (IPRP), managed by the National Institute of Standards and Technology (NIST), provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability. The NIST IPRP co-evolved with the OpenKIM project and is synergistic to it. The IPRP was founded by Dr. Chandler Becker who serves on the Board of the OpenKIM project.

The IPRP accepts all content as long as it is adequately documented. Most IPRP potentials correspond to parameter files for standard potential forms (such as the embedded-atom method (EAM)). These parameter files work with codes that are designed to read them. In contrast KIM models are more general and include the software implementation of the potential along with the parameters. The OpenKIM project believes that inclusion of the potential implementation is necessary to ensure the reproducibility of simulations. (For example, EAM implementations using different interpolation methods can lead to different results for the same parameter file.)

The portability and reproducibility of KIM models required the development of the KIM API. This ongoing and challenging effort began in 2009 in collaboration with leading developers of interatomic models and molecular simulation codes. At the same time, Dr. Becker expanded the IPRP through a sustained outreach effort. As a result, within several years, the IPRP contained a large number of parameter files (mostly for the EAM potential) for different material systems. This content was later absorbed as "KIM-compliant Models" within openkim.org in coordination with the NIST IPRP and after receiving permission from the original content submitters. The OpenKIM project acknowledges this important contribution to its initial content base. Below you will find a list of those models which were incorporated from the IPRP at that time. In addition, as described below, all OpenKIM content which is also available from the NIST IPRP is associated with a hyper-link to where that content is archived within the NIST IPRP.

The OpenKIM project and the NIST IPRP continue to collaborate and cooperate. The NIST IPRP provides archival storage for content of all types pertaining to interatomic potentials. OpenKIM provides archival storage for KIM-compliant potentials as well as other, non-compliant interatomic potentials. The latter type of potentials are referred to as "external models" within the OpenKIM system and are given KIM IDs to enable citation. In order to make it easy for users to upload their content to both OpenKIM and the NIST IPRP, openkim.org provides a unified upload page. For content uploaded to both the NIST IPRP and OpenKIM, each archive provides a hyper-link to the corresponding content archived in the other. It is the intention of the OpenKIM project to continue working closely with the NIST IPRP to serve the needs of the materials research community.

EAM_Dynamo_Ackland_Bacon_Fe__MO_142799717516_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Ackland_Mendelev_FeP__MO_884343146310_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Ackland_Ti__MO_748534961139_000 http://www.ctcms.nist.gov/potentials/Ti.html
EAM_Dynamo_Ackland_Tichy_Ag__MO_212700056563_000 http://www.ctcms.nist.gov/potentials/Ag.html
EAM_Dynamo_Ackland_Tichy_Au__MO_104891429740_000 http://www.ctcms.nist.gov/potentials/Au.html
EAM_Dynamo_Ackland_Tichy_Cu__MO_179025990738_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Ackland_Tichy_Ni__MO_977363131043_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Ackland_W__MO_141627196590_000 http://www.ctcms.nist.gov/potentials/W.html
EAM_Dynamo_Angelo_Moody_NiAlH__MO_418978237058_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Bonny_Pasianot_FeCuNi__MO_469343973171_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Bonny_Pasianot_FeNi__MO_267721408934_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Fellinger_Park_Nb__MO_102133002179_000 http://www.ctcms.nist.gov/potentials/Nb.html
EAM_Dynamo_Fortini_Mendelev_Ru__MO_114077951467_000 http://www.ctcms.nist.gov/potentials/Ru.html
EAM_Dynamo_Hepburn_Ackland_FeC__MO_143977152728_000 http://www.ctcms.nist.gov/potentials/C.html
EAM_Dynamo_Hoyt_Garvin_PbCu__MO_119135752160_000 http://www.ctcms.nist.gov/potentials/Pb.html
EAM_Dynamo_Landa_Wynblatt_AlPb__MO_699137396381_000 http://www.ctcms.nist.gov/potentials/Pb.html
EAM_Dynamo_Li_Siegel_Ta__MO_103054252769_000 http://www.ctcms.nist.gov/potentials/Ta.html
EAM_Dynamo_Mendelev_Asta_AlMg__MO_658278549784_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Mendelev_Han_Fe_2__MO_769582363439_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Mendelev_Han_Fe_5__MO_942420706858_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Mendelev_Han_VFe__MO_249706810527_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Mendelev_King_Cu__MO_748636486270_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Mendelev_Kramer_Al__MO_106969701023_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Mendelev_Kramer_CuZr__MO_600021860456_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Mendelev_Kramer_Cu__MO_945691923444_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Mendelev_Ni__MO_832600236922_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Mendelev_NiZr__MO_149104665840_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Mendelev_Sordelet_CuZr__MO_120596890176_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Mendelev_Srolovitz_AlFe__MO_577453891941_000http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Mishin_Farkas_Al__MO_651801486679_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Mishin_Farkas_Ni__MO_400591584784_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Mishin_Mehl_Cu__MO_346334655118_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Mishin_Mehl_NiAl__MO_109933561507_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Mishin_NiAl__MO_101214310689_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_PurjaPun_Mishin_Co__MO_885079680379_000 http://www.ctcms.nist.gov/potentials/Co.html
EAM_Dynamo_PurjaPun_Mishin_NiAl__MO_751354403791_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Smirnova_UMoXe__MO_679329885632_000 http://www.ctcms.nist.gov/potentials/U.html
EAM_Dynamo_Sturgeon_Laird_Al__MO_120808805541_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Sun_Mendelev_Mg__MO_848345414202_000 http://www.ctcms.nist.gov/potentials/Mg.html
EAM_Dynamo_Williams_Mishin_Ag__MO_131620013077_000 http://www.ctcms.nist.gov/potentials/Ag.html
EAM_Dynamo_Williams_Mishin_CuAg__MO_128703483589_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Winey_Kubota_Al__MO_149316865608_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Wu_Trinkle_CuAg__MO_270337113239_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Zhou_Johnson_Ag__MO_947112899505_000 http://www.ctcms.nist.gov/potentials/Ag.html
EAM_Dynamo_Zhou_Johnson_Al__MO_131650261510_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Zhou_Johnson_Au__MO_468407568810_000 http://www.ctcms.nist.gov/potentials/Au.html
EAM_Dynamo_Zhou_Johnson_Co__MO_924630542818_000 http://www.ctcms.nist.gov/potentials/Co.html
EAM_Dynamo_Zhou_Johnson_Cu__MO_127245782811_000 http://www.ctcms.nist.gov/potentials/Cu.html
EAM_Dynamo_Zhou_Johnson_Fe__MO_650279905230_000 http://www.ctcms.nist.gov/potentials/Fe.html
EAM_Dynamo_Zhou_Johnson_Mg__MO_137404467969_000 http://www.ctcms.nist.gov/potentials/Mg.html
EAM_Dynamo_Zhou_Johnson_Mo__MO_271256517527_000 http://www.ctcms.nist.gov/potentials/Mo.html
EAM_Dynamo_Zhou_Johnson_Ni__MO_110256178378_000 http://www.ctcms.nist.gov/potentials/Ni.html
EAM_Dynamo_Zhou_Johnson_Pb__MO_116920074573_000 http://www.ctcms.nist.gov/potentials/Pb.html
EAM_Dynamo_Zhou_Johnson_Pt__MO_102190350384_000 http://www.ctcms.nist.gov/potentials/Pt.html
EAM_Dynamo_Zhou_Johnson_Ta__MO_130046220009_000 http://www.ctcms.nist.gov/potentials/Ta.html
EAM_Dynamo_Zhou_Johnson_Ti__MO_723456820410_000 http://www.ctcms.nist.gov/potentials/Ti.html
EAM_Dynamo_Zhou_Johnson_W__MO_524392058194_000 http://www.ctcms.nist.gov/potentials/W.html
EAM_Dynamo_Zhou_Johnson_Zr__MO_103270551167_000 http://www.ctcms.nist.gov/potentials/Zr.html
EAM_Dynamo_Zope_Mishin_Al__MO_664470114311_000 http://www.ctcms.nist.gov/potentials/Al.html
EAM_Dynamo_Zope_Mishin_TiAl__MO_117656786760_000 http://www.ctcms.nist.gov/potentials/Al.html