{ "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" [ [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.656874 0.843126 0.5 ] [ 0.843126 0.343126 0.5 ] [ 0.843126 0.656874 0 ] [ 0.656874 0.156874 0 ] [ 0.156874 0.343126 0 ] [ 0.343126 0.843126 0 ] [ 0.343126 0.156874 0.5 ] [ 0.156874 0.656874 0.5 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Tl" "Tl" "Tl" "Tl" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.26286446 "source-unit" "angstrom" } "c" { "source-value" 6.43510323 "source-unit" "angstrom" } }