{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn3" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.958144 0.227514 0.055651 ] [ 0.055651 0.958144 0.227514 ] [ 0.227514 0.055651 0.958144 ] [ 0.272486 0.055651 0.541856 ] [ 0.444349 0.541856 0.227514 ] [ 0.444349 0.958144 0.272486 ] [ 0.227514 0.444349 0.541856 ] [ 0.055651 0.541856 0.272486 ] [ 0.272486 0.444349 0.958144 ] [ 0.541856 0.272486 0.055651 ] [ 0.541856 0.227514 0.444349 ] [ 0.958144 0.272486 0.444349 ] [ 0.041856 0.772486 0.944349 ] [ 0.944349 0.041856 0.772486 ] [ 0.772486 0.944349 0.041856 ] [ 0.727514 0.944349 0.458144 ] [ 0.555651 0.458144 0.772486 ] [ 0.555651 0.041856 0.727514 ] [ 0.772486 0.555651 0.458144 ] [ 0.944349 0.458144 0.727514 ] [ 0.727514 0.555651 0.041856 ] [ 0.458144 0.727514 0.944349 ] [ 0.458144 0.772486 0.555651 ] [ 0.041856 0.727514 0.555651 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Tl" "Tl" "Tl" "Tl" "F" "F" "F" "F" "F" "F" "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" } "a" { "source-value" 9.26655698315 "source-unit" "angstrom" } }