{"contributor-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
 "description" "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing an unconstrained structural relaxation of the unit cell and atomic positions. One or more initial guesses are specified as LAMMPS data files using type labels. Each unique crystal structure found after the relaxations is reported using the AFLOW prototype designation. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state."
 "developer" ["4ad03136-ed7f-4316-b586-1e94ccceb311"
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              "c4d2afd1-647e-4347-ae94-5e4772c16883"
              "4d62befd-21c4-42b8-a472-86132e6591f3"]
 "doi" "10.25950/86dce899"
 "domain" "openkim.org"
 "executables" ["bonded_util/charmm_gui_test_from_nmm.py"
                "bonded_util/create_tests.sh"
                "bonded_util/cs_test_from_reactive_test.py"
                "bonded_util/pcff_iff_test_from_nmm_test.py"
                "runner"
                "test_template/runner"]
 "extended-id" "EquilibriumCrystalStructure_Unconstrained_TypeLabels__TD_495406822220_000"
 "funding" [{"award-number" "NSF DMR-1834251"
             "award-title" "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)"
             "funder-identifier" "https://doi.org/10.13039/100000001"
             "funder-identifier-type" "Crossref Funder ID"
             "funder-name" "National Science Foundation"
             "scheme-uri" "http://doi.org/"}]
 "kim-api-version" "2.3"
 "maintainer-id" "4ad03136-ed7f-4316-b586-1e94ccceb311"
 "properties" ["tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal"
               "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt"]
 "publication-year" "2023"
 "simulator-name" "LAMMPS"
 "title" "Equilibrium structure and energy for a crystal specified using LAMMPS type labels at zero temperature and pressure v000"}