{ "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 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.845393 0.345393 0.115114 ] [ 0.845393 0.345393 0.884886 ] [ 0.154607 0.654607 0.884886 ] [ 0.345393 0.154607 0.884886 ] [ 0.154607 0.654607 0.115114 ] [ 0.345393 0.154607 0.115114 ] [ 0.654607 0.845393 0.115114 ] [ 0.654607 0.845393 0.884886 ] [ 0.345393 0.845393 0.615114 ] [ 0.345393 0.845393 0.384886 ] [ 0.654607 0.154607 0.384886 ] [ 0.845393 0.654607 0.384886 ] [ 0.654607 0.154607 0.615114 ] [ 0.845393 0.654607 0.615114 ] [ 0.154607 0.345393 0.615114 ] [ 0.154607 0.345393 0.384886 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.40668095307 "source-unit" "angstrom" } "c" { "source-value" 11.9971337059 "source-unit" "angstrom" } }