{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.706923 0.104943 0.5 ] [ 0.293077 0.895057 0.5 ] [ 0.104943 0.293077 0.5 ] [ 0.895057 0.706923 0.5 ] [ 0.206923 0.604943 0 ] [ 0.793077 0.395057 0 ] [ 0.604943 0.793077 0 ] [ 0.395057 0.206923 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60118351742 "source-unit" "angstrom" } "c" { "source-value" 4.01436423774 "source-unit" "angstrom" } }