{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.900887 ] [ 0.5 0.5 0.099113 ] [ 0.5 0.5 0.5 ] [ 0 0 0.400887 ] [ 0 0 0.599113 ] [ 0 0 0.199168 ] [ 0 0 0.800832 ] [ 0.5 0.5 0.699168 ] [ 0.5 0.5 0.300832 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" 3.42728762051 "source-unit" "angstrom" } "c" { "source-value" 15.4214199443 "source-unit" "angstrom" } }