{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.815885 0 0 ] [ 0.25 0 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0 0.25 ] [ 0 0.184115 0 ] [ 0.184115 0 0 ] [ 0 0 0.184115 ] [ 0.75 0 0.5 ] [ 0 0 0.815885 ] [ 0 0.5 0.25 ] [ 0 0.75 0.5 ] [ 0 0.815885 0 ] [ 0.315885 0.5 0.5 ] [ 0.75 0.5 0 ] [ 0 0.25 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.684115 0.5 ] [ 0.684115 0.5 0.5 ] [ 0.5 0.5 0.684115 ] [ 0.25 0.5 0 ] [ 0.5 0.5 0.315885 ] [ 0.5 0 0.75 ] [ 0.5 0.25 0 ] [ 0.5 0.315885 0.5 ] [ 0.224958 0.224958 0.775042 ] [ 0.224958 0.775042 0.224958 ] [ 0.775042 0.775042 0.775042 ] [ 0.775042 0.224958 0.224958 ] [ 0.724958 0.724958 0.275042 ] [ 0.724958 0.275042 0.724958 ] [ 0.275042 0.275042 0.275042 ] [ 0.275042 0.724958 0.724958 ] [ 0.112852 0.358089 0.112852 ] [ 0.112852 0.641911 0.887148 ] [ 0.887148 0.358089 0.887148 ] [ 0.358089 0.112852 0.112852 ] [ 0.887148 0.887148 0.358089 ] [ 0.112852 0.112852 0.358089 ] [ 0.887148 0.641911 0.112852 ] [ 0.641911 0.887148 0.112852 ] [ 0.112852 0.887148 0.641911 ] [ 0.358089 0.887148 0.887148 ] [ 0.641911 0.112852 0.887148 ] [ 0.887148 0.112852 0.641911 ] [ 0.612852 0.858089 0.612852 ] [ 0.612852 0.141911 0.387148 ] [ 0.387148 0.858089 0.387148 ] [ 0.858089 0.612852 0.612852 ] [ 0.387148 0.387148 0.858089 ] [ 0.612852 0.612852 0.858089 ] [ 0.387148 0.141911 0.612852 ] [ 0.141911 0.387148 0.612852 ] [ 0.612852 0.387148 0.141911 ] [ 0.858089 0.387148 0.387148 ] [ 0.141911 0.612852 0.387148 ] [ 0.387148 0.612852 0.141911 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 10.0873153699 "source-unit" "angstrom" } }