{ "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 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.773404 0.773404 0 ] [ 0.5 0.5 0.209983 ] [ 0.226596 0.226596 0 ] [ 0.5 0.5 0.790017 ] [ 0.226596 0.773404 0 ] [ 0.773404 0.226596 0 ] [ 0.273404 0.273404 0.5 ] [ 0 0 0.709983 ] [ 0.726596 0.726596 0.5 ] [ 0 0 0.290017 ] [ 0.726596 0.273404 0.5 ] [ 0.273404 0.726596 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Au" "Au" "Au" "Au" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.4546636891 "source-unit" "angstrom" } "c" { "source-value" 12.5225165777 "source-unit" "angstrom" } }