{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0.666667 0.333333 0.904744 ] [ 0.333333 0.666667 0.404744 ] [ 0.666667 0.333333 0.595256 ] [ 0.333333 0.666667 0.095256 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.653699 ] [ 0.666667 0.333333 0.153699 ] [ 0.666667 0.333333 0.346301 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.846301 ] [ 0.036235 0.518118 0.75 ] [ 0.518118 0.481882 0.25 ] [ 0.330973 0.165486 0.420003 ] [ 0.669027 0.834514 0.920003 ] [ 0.165486 0.330973 0.579997 ] [ 0.834514 0.669027 0.420003 ] [ 0.834514 0.669027 0.079997 ] [ 0.330973 0.165486 0.079997 ] [ 0.165486 0.834514 0.920003 ] [ 0.963765 0.481882 0.25 ] [ 0.165486 0.834514 0.579997 ] [ 0.834514 0.165486 0.420003 ] [ 0.481882 0.963765 0.75 ] [ 0.518118 0.036235 0.25 ] [ 0.165486 0.330973 0.920003 ] [ 0.481882 0.518118 0.75 ] [ 0.669027 0.834514 0.579997 ] [ 0.834514 0.165486 0.079997 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "Co" "Co" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.01300938769 "source-unit" "angstrom" } "c" { "source-value" 14.72267101 "source-unit" "angstrom" } }