{ "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 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.655103 0.844897 0.860144 ] [ 0.155103 0.655103 0.860144 ] [ 0.844897 0.344897 0.860144 ] [ 0.155103 0.655103 0.139856 ] [ 0.844897 0.344897 0.139856 ] [ 0.344897 0.155103 0.139856 ] [ 0.655103 0.844897 0.139856 ] [ 0.344897 0.155103 0.860144 ] [ 0.155103 0.344897 0.360144 ] [ 0.655103 0.155103 0.360144 ] [ 0.344897 0.844897 0.360144 ] [ 0.655103 0.155103 0.639856 ] [ 0.344897 0.844897 0.639856 ] [ 0.844897 0.655103 0.639856 ] [ 0.155103 0.344897 0.639856 ] [ 0.844897 0.655103 0.360144 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.84334088341 "source-unit" "angstrom" } "c" { "source-value" 11.3884435915 "source-unit" "angstrom" } }