{ {# FILENAME = kimspec.edn #}
  "title" "Conjugate gradient relaxation of random finite cluster of {{symbol[0]|upper}}{{symbol[1:]}} atoms v{{version}}"
  "extended-id" "ClusterEnergyAndForces_{{natoms}}atom_{{symbol[0]|upper}}{{symbol[1:]}}__TE_{{kimnum}}_{{version}}"
  "test-driver" "{{TEST_DRIVER_NAME}}"
  "species" [
    "{{symbol}}"
  ]
  "author" "Daniel S. Karls"
  "description" "Computes the potential energy and forces of a random cluster of {{symbol[0]|upper}}{{symbol[1:]}} atoms and performs a conjugate gradient relaxation of the positions.  The positions of the atoms in this Test were obtained by first randomly initializing a set of {{symbol[0]|upper}}{{symbol[1:]}} atoms in a cubic box of side length {{sidelength}} Angstroms (fixed, reflective boundary conditions).  Dynamics were then performed in LAMMPS (http://lammps.sandia.gov) under a Tersoff (T2) potential by heating the system to ~4100K under a Langevin thermostat for {{numtimesteps}} timesteps (each timestep = 0.001ps). Finally, the atomic positions were extracted and are used as the initial positions for the relaxation."
  "disclaimer" "See test driver source ({{TEST_DRIVER_NAME}}) for required formatting of xyz file.  This kimspec file was generated automatically using the openkim-pipeline `testgenie` utility along with the template files in the test driver directory."
  "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3"
  "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3"
  "developer" ["4d62befd-21c4-42b8-a472-86132e6591f3"]
  "matching-models" ["standard-models"]
  "publication-year" "2019"
  "kim-api-version" "2.0"
  "executables" ["runner"]
  "domain" "openkim.org"
}