{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.593909 0.093909 0 ] [ 0.906091 0.593909 0 ] [ 0.093909 0.406091 0 ] [ 0.906091 0.406091 0.5 ] [ 0.782433 0.899279 0 ] [ 0.100721 0.782433 0 ] [ 0.899279 0.217567 0 ] [ 0.217567 0.100721 0 ] [ 0.100721 0.217567 0.5 ] [ 0.899279 0.782433 0.5 ] [ 0.217567 0.899279 0.5 ] [ 0.782433 0.100721 0.5 ] [ 0.093909 0.593909 0.5 ] [ 0.406091 0.093909 0.5 ] [ 0.593909 0.906091 0.5 ] [ 0.406091 0.906091 0 ] [ 0.282433 0.399279 0.5 ] [ 0.600721 0.282433 0.5 ] [ 0.399279 0.717567 0.5 ] [ 0.717567 0.600721 0.5 ] [ 0.600721 0.717567 0 ] [ 0.399279 0.282433 0 ] [ 0.717567 0.399279 0 ] [ 0.282433 0.600721 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "Fe" "Fe" "Fe" "Fe" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.141394624 "source-unit" "angstrom" } "c" { "source-value" 5.25324204629 "source-unit" "angstrom" } }