{ "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 0.725931 0.75 ] [ 0 0.274069 0.25 ] [ 0.5 0.225931 0.75 ] [ 0.5 0.774069 0.25 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.933673 0.768886 0.068572 ] [ 0.732112 0.036834 0.142132 ] [ 0.566327 0.268886 0.431428 ] [ 0.566327 0.731114 0.931428 ] [ 0.767888 0.463166 0.857868 ] [ 0.767888 0.536834 0.357868 ] [ 0.732112 0.963166 0.642132 ] [ 0.933673 0.231114 0.568572 ] [ 0.433673 0.268886 0.068572 ] [ 0.232112 0.536834 0.142132 ] [ 0.066327 0.768886 0.431428 ] [ 0.066327 0.231114 0.931428 ] [ 0.267888 0.963166 0.857868 ] [ 0.267888 0.036834 0.357868 ] [ 0.232112 0.463166 0.642132 ] [ 0.433673 0.731114 0.568572 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "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" 12.8592047614 "source-unit" "angstrom" } "b" { "source-value" 6.08634831 "source-unit" "angstrom" } "c" { "source-value" 10.3341438229 "source-unit" "angstrom" } "beta" { "source-value" 102.387703807 "source-unit" "degree" } }