{
    "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "description" "Computes the potential energy and forces of a random cluster of Si 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 Si atoms in a cubic box of side length 6.2 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 190 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 (ClusterEnergyAndForces__TD_000043093022_003) 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." 
    "domain" "openkim.org" 
    "executables" [
        "runner"
    ] 
    "extended-id" "ClusterEnergyAndForces_3atom_Si__TE_432205369431_003" 
    "kim-api-version" "2.0" 
    "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" 
    "matching-models" [
        "standard-models"
    ] 
    "publication-year" "2019" 
    "species" [
        "Si"
    ] 
    "test-driver" "ClusterEnergyAndForces__TD_000043093022_003" 
    "title" "Conjugate gradient relaxation of random finite cluster of Si atoms v003"
}