{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.618025 0.118025 0.881975 ] [ 0.881975 0.118025 0.381975 ] [ 0.118025 0.881975 0.381975 ] [ 0.618025 0.118025 0.118025 ] [ 0.881975 0.118025 0.618025 ] [ 0.381975 0.881975 0.881975 ] [ 0.118025 0.881975 0.618025 ] [ 0.381975 0.881975 0.118025 ] [ 0.83073 0 0.16927 ] [ 0 0.83073 0.16927 ] [ 0 0.16927 0.16927 ] [ 0.83073 0 0.83073 ] [ 0.16927 0 0.16927 ] [ 0.83073 0.83073 0 ] [ 0.83073 0.16927 0 ] [ 0 0.83073 0.83073 ] [ 0.16927 0.16927 0 ] [ 0.16927 0.83073 0 ] [ 0 0.16927 0.83073 ] [ 0.16927 0 0.83073 ] [ 0 0.5 0.5 ] [ 0.618025 0.618025 0.381975 ] [ 0.881975 0.618025 0.881975 ] [ 0.118025 0.381975 0.881975 ] [ 0.618025 0.618025 0.618025 ] [ 0.881975 0.618025 0.118025 ] [ 0.381975 0.381975 0.381975 ] [ 0.118025 0.381975 0.118025 ] [ 0.381975 0.381975 0.618025 ] [ 0.83073 0.5 0.66927 ] [ 0 0.33073 0.66927 ] [ 0 0.66927 0.66927 ] [ 0.83073 0.5 0.33073 ] [ 0.16927 0.5 0.66927 ] [ 0.83073 0.33073 0.5 ] [ 0.83073 0.66927 0.5 ] [ 0 0.33073 0.33073 ] [ 0.16927 0.66927 0.5 ] [ 0.16927 0.33073 0.5 ] [ 0 0.66927 0.33073 ] [ 0.16927 0.5 0.33073 ] [ 0.5 0 0.5 ] [ 0.118025 0.118025 0.381975 ] [ 0.381975 0.118025 0.881975 ] [ 0.618025 0.881975 0.881975 ] [ 0.118025 0.118025 0.618025 ] [ 0.381975 0.118025 0.118025 ] [ 0.881975 0.881975 0.381975 ] [ 0.618025 0.881975 0.118025 ] [ 0.881975 0.881975 0.618025 ] [ 0.33073 0 0.66927 ] [ 0.5 0.83073 0.66927 ] [ 0.5 0.16927 0.66927 ] [ 0.33073 0 0.33073 ] [ 0.66927 0 0.66927 ] [ 0.33073 0.83073 0.5 ] [ 0.33073 0.16927 0.5 ] [ 0.5 0.83073 0.33073 ] [ 0.66927 0.16927 0.5 ] [ 0.66927 0.83073 0.5 ] [ 0.5 0.16927 0.33073 ] [ 0.66927 0 0.33073 ] [ 0.5 0.5 0 ] [ 0.118025 0.618025 0.881975 ] [ 0.381975 0.618025 0.381975 ] [ 0.618025 0.381975 0.381975 ] [ 0.118025 0.618025 0.118025 ] [ 0.381975 0.618025 0.618025 ] [ 0.881975 0.381975 0.881975 ] [ 0.618025 0.381975 0.618025 ] [ 0.881975 0.381975 0.118025 ] [ 0.33073 0.5 0.16927 ] [ 0.5 0.33073 0.16927 ] [ 0.5 0.66927 0.16927 ] [ 0.33073 0.5 0.83073 ] [ 0.66927 0.5 0.16927 ] [ 0.33073 0.33073 0 ] [ 0.33073 0.66927 0 ] [ 0.5 0.33073 0.83073 ] [ 0.66927 0.66927 0 ] [ 0.66927 0.33073 0 ] [ 0.5 0.66927 0.83073 ] [ 0.66927 0.5 0.83073 ] [ 0.5 0.225466 0 ] [ 0.274534 0 0 ] [ 0.725466 0 0 ] [ 0 0 0.725466 ] [ 0 0 0.274534 ] [ 0.5 0.774534 0 ] [ 0.5 0.725466 0.5 ] [ 0.274534 0.5 0.5 ] [ 0.725466 0.5 0.5 ] [ 0 0.5 0.225466 ] [ 0 0.5 0.774534 ] [ 0.5 0.274534 0.5 ] [ 0 0.225466 0.5 ] [ 0.774534 0 0.5 ] [ 0.225466 0 0.5 ] [ 0.5 0 0.225466 ] [ 0.5 0 0.774534 ] [ 0 0.774534 0.5 ] [ 0 0.725466 0 ] [ 0.774534 0.5 0 ] [ 0.225466 0.5 0 ] [ 0.5 0.5 0.725466 ] [ 0.5 0.5 0.274534 ] [ 0 0.274534 0 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 10.4573058655 "source-unit" "angstrom" } }