{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nnc" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.124976 ] [ 0.75 0.75 0.875024 ] [ 0.75 0.75 0.624976 ] [ 0.25 0.25 0.375024 ] [ 0.586933 0.41262 0.125233 ] [ 0.58738 0.413067 0.625233 ] [ 0.086933 0.58738 0.625233 ] [ 0.913067 0.08738 0.125233 ] [ 0.58738 0.086933 0.874767 ] [ 0.41262 0.586933 0.374767 ] [ 0.586933 0.08738 0.374767 ] [ 0.08738 0.586933 0.125233 ] [ 0.08738 0.913067 0.374767 ] [ 0.91262 0.413067 0.874767 ] [ 0.41262 0.913067 0.125233 ] [ 0.91262 0.086933 0.625233 ] [ 0.413067 0.91262 0.625233 ] [ 0.086933 0.91262 0.874767 ] [ 0.413067 0.58738 0.874767 ] [ 0.913067 0.41262 0.374767 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 8.01592609 "source-unit" "angstrom" } "c" { "source-value" 12.61241906 "source-unit" "angstrom" } }