{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.875 0.875 0.625 ] [ 0.125 0.875 0.375 ] [ 0.125 0.625 0.125 ] [ 0.875 0.625 0.875 ] [ 0.875 0.375 0.125 ] [ 0.125 0.375 0.875 ] [ 0.125 0.125 0.625 ] [ 0.875 0.125 0.375 ] [ 0.375 0.875 0.125 ] [ 0.625 0.875 0.875 ] [ 0.625 0.625 0.625 ] [ 0.375 0.625 0.375 ] [ 0.375 0.375 0.625 ] [ 0.625 0.375 0.375 ] [ 0.625 0.125 0.125 ] [ 0.375 0.125 0.875 ] [ 0.880878 0.119122 0.619122 ] [ 0.130878 0.630878 0.369122 ] [ 0.130878 0.869122 0.130878 ] [ 0.869122 0.869122 0.869122 ] [ 0.119122 0.880878 0.619122 ] [ 0.380878 0.880878 0.880878 ] [ 0.369122 0.630878 0.130878 ] [ 0.119122 0.119122 0.380878 ] [ 0.880878 0.619122 0.119122 ] [ 0.130878 0.130878 0.869122 ] [ 0.130878 0.369122 0.630878 ] [ 0.869122 0.369122 0.369122 ] [ 0.119122 0.380878 0.119122 ] [ 0.380878 0.380878 0.380878 ] [ 0.369122 0.130878 0.630878 ] [ 0.119122 0.619122 0.880878 ] [ 0.380878 0.119122 0.119122 ] [ 0.630878 0.630878 0.869122 ] [ 0.630878 0.869122 0.630878 ] [ 0.369122 0.869122 0.369122 ] [ 0.619122 0.880878 0.119122 ] [ 0.880878 0.880878 0.380878 ] [ 0.869122 0.630878 0.630878 ] [ 0.619122 0.119122 0.880878 ] [ 0.380878 0.619122 0.619122 ] [ 0.630878 0.130878 0.369122 ] [ 0.630878 0.369122 0.130878 ] [ 0.369122 0.369122 0.869122 ] [ 0.619122 0.380878 0.619122 ] [ 0.880878 0.380878 0.880878 ] [ 0.869122 0.130878 0.130878 ] [ 0.619122 0.619122 0.380878 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 9.05968119 "source-unit" "angstrom" } }