{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.61987 0.372644 0.201343 ] [ 0.88013 0.127356 0.798657 ] [ 0.61987 0.627356 0.701343 ] [ 0.88013 0.872644 0.298657 ] [ 0.11987 0.872644 0.201343 ] [ 0.38013 0.627356 0.798657 ] [ 0.11987 0.127356 0.701343 ] [ 0.38013 0.372644 0.298657 ] [ 0.273911 0.023284 0.498728 ] [ 0.226089 0.476716 0.501272 ] [ 0.726089 0.023284 0.001272 ] [ 0.773911 0.476716 0.998728 ] [ 0.773911 0.523284 0.498728 ] [ 0.726089 0.976716 0.501272 ] [ 0.226089 0.523284 0.001272 ] [ 0.273911 0.976716 0.998728 ] [ 0.237785 0.465266 0.635599 ] [ 0.737785 0.034734 0.135599 ] [ 0.815797 0.913834 0.062644 ] [ 0.684203 0.413834 0.437356 ] [ 0.262215 0.034734 0.364401 ] [ 0.762215 0.465266 0.864401 ] [ 0.815797 0.086166 0.562644 ] [ 0.684203 0.586166 0.937356 ] [ 0.737785 0.965266 0.635599 ] [ 0.237785 0.534734 0.135599 ] [ 0.315797 0.413834 0.062644 ] [ 0.184203 0.913834 0.437356 ] [ 0.762215 0.534734 0.364401 ] [ 0.262215 0.965266 0.864401 ] [ 0.315797 0.586166 0.562644 ] [ 0.184203 0.086166 0.937356 ] [ 0.922776 0.141568 0.014282 ] [ 0.63412 0.113473 0.822773 ] [ 0.577224 0.641568 0.485718 ] [ 0.514372 0.786196 0.924179 ] [ 0.577224 0.358432 0.985718 ] [ 0.13412 0.386527 0.322773 ] [ 0.485628 0.786196 0.575821 ] [ 0.36588 0.113473 0.677227 ] [ 0.922776 0.858432 0.514282 ] [ 0.014372 0.713804 0.424179 ] [ 0.985628 0.713804 0.075821 ] [ 0.86588 0.386527 0.177227 ] [ 0.422776 0.641568 0.014282 ] [ 0.13412 0.613473 0.822773 ] [ 0.077224 0.141568 0.485718 ] [ 0.014372 0.286196 0.924179 ] [ 0.077224 0.858432 0.985718 ] [ 0.63412 0.886527 0.322773 ] [ 0.985628 0.286196 0.575821 ] [ 0.86588 0.613473 0.677227 ] [ 0.422776 0.358432 0.514282 ] [ 0.514372 0.213804 0.424179 ] [ 0.485628 0.213804 0.075821 ] [ 0.36588 0.886527 0.177227 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.5047478851 "source-unit" "angstrom" } "b" { "source-value" 10.712172922 "source-unit" "angstrom" } "c" { "source-value" 13.9924425141 "source-unit" "angstrom" } "beta" { "source-value" 146.992757291 "source-unit" "degree" } }