{"title" "Dislocation core energy for {{lattice}} {{species}} computed at zero temperature for a set of dislocation core cutoff radii v{{version}}" {# FILENAME = kimspec.edn #}
 "contributor-id" "e397b507-e987-4c7f-8b6a-1359bf4970cd"
 "description" "This Test computes the dislocation core energy of a {{lattice}} {{species}} crystal at zero temperature and pressure for a specific set of dislocation core cutoff radii. First, it generates several periodic atomistic supercells containing a dislocation dipole. After obtaining the total energy of the system from conjugate gradient minimizations, non-singular, isotropic and anisotropic elasticity are applied to obtain the dislocation core energy for each of these supercells with different dipole distances. Finally, after checking the independence of the results from the simulation cell geometry, the dislocation core energies are determined for each dislocation core radius."
 "developer" ["e397b507-e987-4c7f-8b6a-1359bf4970cd"
              "f9afb302-b4eb-4b55-a4e3-676ba64bfb77"
              "4d62befd-21c4-42b8-a472-86132e6591f3"
              "2b17a7c4-c95c-4fc0-8016-6722bc09ca06"
              "6ee0e203-4072-42b5-97a0-cf937edf5de8"
              "360c0aed-48ce-45f6-ba13-337f12a531e8"
              "326963bd-0124-49c5-a68a-9992be702950"]
 "domain" "openkim.org"
 "executables" ["runner"]
 "extended-id" "DislocationCoreEnergyCubic_{{lattice}}_{{species}}_{{burgers_vector | join('')}}_{{dislocation_line_direction | join('') | replace("-", "m")}}__TE_{{kimnum}}_{{version}}"
 "kim-api-version" "2.0"
 "maintainer-id" "e397b507-e987-4c7f-8b6a-1359bf4970cd"
 "properties" ["tag:staff@noreply.openkim.org,2021-02-24:property/dislocation-core-energy-cubic-crystal-npt"]
 "publication-year" "2021"
 "simulator-name" "LAMMPS"
 "species" ["W"]
 "test-driver" "{{TEST_DRIVER_NAME}}"
 "max_num_procs" "20"
}