{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.778808 0.75 0.75 ] [ 0.221192 0.75 0.25 ] [ 0.778808 0.25 0.75 ] [ 0.221192 0.25 0.25 ] [ 0.278808 0.25 0.75 ] [ 0.721192 0.25 0.25 ] [ 0.278808 0.75 0.75 ] [ 0.721192 0.75 0.25 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.192693 0 0.794698 ] [ 0.307307 0 0.294698 ] [ 0.692693 0 0.705302 ] [ 0.807307 0 0.205302 ] [ 0 0.269769 0.5 ] [ 0 0.230231 0 ] [ 0 0.769769 0 ] [ 0 0.730231 0.5 ] [ 0.692693 0.5 0.794698 ] [ 0.807307 0.5 0.294698 ] [ 0.192693 0.5 0.705302 ] [ 0.307307 0.5 0.205302 ] [ 0.5 0.769769 0.5 ] [ 0.5 0.730231 0 ] [ 0.5 0.269769 0 ] [ 0.5 0.230231 0.5 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Pd" "Pd" "Pd" "Pd" "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" 8.34453889412 "source-unit" "angstrom" } "b" { "source-value" 10.1058075108 "source-unit" "angstrom" } "c" { "source-value" 8.24756559 "source-unit" "angstrom" } }