{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.462805 0 ] [ 0.5 0.050249 0 ] [ 0.5 0.955043 0.163984 ] [ 0.5 0.955043 0.836016 ] [ 0 0.554955 0.831271 ] [ 0 0.554955 0.168729 ] [ 0.5 0.962805 0.5 ] [ 0 0.550249 0.5 ] [ 0 0.455043 0.663984 ] [ 0 0.455043 0.336016 ] [ 0.5 0.054955 0.331271 ] [ 0.5 0.054955 0.668729 ] [ 0 0.843047 0.062362 ] [ 0 0.167119 0.769037 ] [ 0 0.843047 0.937638 ] [ 0.5 0.340668 0.898788 ] [ 0.5 0.340668 0.101212 ] [ 0 0.167119 0.230963 ] [ 0.5 0.343047 0.562362 ] [ 0.5 0.667119 0.269037 ] [ 0.5 0.343047 0.437638 ] [ 0 0.840668 0.398788 ] [ 0 0.840668 0.601212 ] [ 0.5 0.667119 0.730963 ] [ 0.5 0.668012 0.070931 ] [ 0.5 0.668012 0.929069 ] [ 0 0.172785 0.89588 ] [ 0.5 0.339704 0.769566 ] [ 0 0.172785 0.10412 ] [ 0.5 0.339704 0.230434 ] [ 0 0.168012 0.570931 ] [ 0 0.168012 0.429069 ] [ 0.5 0.672785 0.39588 ] [ 0 0.839704 0.269566 ] [ 0.5 0.672785 0.60412 ] [ 0 0.839704 0.730434 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.44504586863 "source-unit" "angstrom" } "b" { "source-value" 7.51124563729 "source-unit" "angstrom" } "c" { "source-value" 21.2663414788 "source-unit" "angstrom" } }