The KIM API is an Application Programming Interface for atomistic simulations. The API provides a standard for exchanging information between atomistic simulation codes (molecular dynamics, molecular statics, lattice dynamics, Monte Carlo, etc.) and interatomic models (potentials or force fields).
The KIM API has the following main features:
The current version of the kim-api package includes the API itself and the following example codes:
(for more information see the file $(KIM_DIR)/examples/example_legos/model_legos/README)
Ercolessi Adams EAM potential for Al (ex_model_Al_PF_ErcolessiAdams)
(for more information see the file $(KIM_DIR)/examples/example_legos/openkim_test_legos/README)
Compute the relaxed lattice spacing and cohesive energy of a periodic infinite fcc crystal of Al, Ar, and Ne. (ex_test_Al_FCCcohesive_MI_OPBC, ex_test_Ar_FCCcohesive_MI_OPBC, ex_test_Ar_FCCcohesive_NEIGH_PURE, ex_test_Ar_FCCcohesive_NEIGH_RVEC)
Compute the relaxed lattice spacing and cohesive energy of a periodic infinite B2 crystal of ArNe. (ex_test_ArNe_periodic_B2_NEIGH_RVEC)
Compute the relaxed lattice spacing and cohesive energy of a periodic infinite fcc crystal of Ar for a variety of Model cutoff values. (ex_test_Ar_FCCcohesiveCutoff_NEIGH_RVEC)
If you have problems or questions, send an email with your question and all relevant information to
Your message will be posted to the openkim google group:
The members of the openkim development team actively monitor this forum and will do their best to help you with your question in a timely fashion. This forum is also used to announce minor new releases and bug fixes.
If you plan to work with the KIM API, it is highly recommended that you become a member of the openkim group. (Just go to the above link and click on "Join this group" on the right of the screen.)