{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0.195915 0.804085 0.349596 ] [ 0.804085 0.195915 0.349596 ] [ 0.804085 0.804085 0.349596 ] [ 0.195915 0.195915 0.349596 ] [ 0 0 0.931318 ] [ 0.695915 0.304085 0.849596 ] [ 0.304085 0.695915 0.849596 ] [ 0.304085 0.304085 0.849596 ] [ 0.695915 0.695915 0.849596 ] [ 0.5 0.5 0.431318 ] [ 0 0.5 0.736376 ] [ 0 0.5 0.236376 ] [ 0.5 0 0.236376 ] [ 0.5 0 0.736376 ] [ 0.680602 0 0.985618 ] [ 0.319398 0 0.985618 ] [ 0 0.680602 0.985618 ] [ 0 0 0.446069 ] [ 0 0.319398 0.985618 ] [ 0.180602 0.5 0.485618 ] [ 0.819398 0.5 0.485618 ] [ 0.5 0.180602 0.485618 ] [ 0.5 0.5 0.946069 ] [ 0.5 0.819398 0.485618 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.38509827492 "source-unit" "angstrom" } "c" { "source-value" 5.5252472834 "source-unit" "angstrom" } }