{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.798251 0 0 ] [ 0 0.798251 0 ] [ 0 0 0.201749 ] [ 0.201749 0 0 ] [ 0 0.201749 0 ] [ 0 0 0.798251 ] [ 0.798251 0.5 0.5 ] [ 0 0.298251 0.5 ] [ 0 0.5 0.701749 ] [ 0.201749 0.5 0.5 ] [ 0 0.701749 0.5 ] [ 0 0.5 0.298251 ] [ 0.298251 0 0.5 ] [ 0.5 0.798251 0.5 ] [ 0.5 0 0.701749 ] [ 0.701749 0 0.5 ] [ 0.5 0.201749 0.5 ] [ 0.5 0 0.298251 ] [ 0.298251 0.5 0 ] [ 0.5 0.298251 0 ] [ 0.5 0.5 0.201749 ] [ 0.701749 0.5 0 ] [ 0.5 0.701749 0 ] [ 0.5 0.5 0.798251 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.21663018 "source-unit" "angstrom" } }