{ "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" [ [ 0.5 0.25 0.25 ] [ 0.5 0 0 ] [ 0.75 0.25 0 ] [ 0.75 0 0.25 ] [ 0.5 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.5 0.75 ] [ 0 0.25 0.75 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0 0.75 ] [ 0 0.75 0.25 ] [ 0 0.5 0 ] [ 0.25 0.75 0 ] [ 0.25 0.5 0.25 ] [ 0.125 0.464721 0.625 ] [ 0.875 0.714721 0.875 ] [ 0.125 0.625 0.464721 ] [ 0.285279 0.625 0.625 ] [ 0.964721 0.625 0.625 ] [ 0.125 0.625 0.785279 ] [ 0.875 0.875 0.035279 ] [ 0.875 0.875 0.714721 ] [ 0.875 0.035279 0.875 ] [ 0.714721 0.875 0.875 ] [ 0.035279 0.875 0.875 ] [ 0.125 0.785279 0.625 ] [ 0.125 0.964721 0.125 ] [ 0.875 0.214721 0.375 ] [ 0.125 0.125 0.964721 ] [ 0.285279 0.125 0.125 ] [ 0.964721 0.125 0.125 ] [ 0.125 0.125 0.285279 ] [ 0.875 0.375 0.535279 ] [ 0.875 0.375 0.214721 ] [ 0.875 0.535279 0.375 ] [ 0.714721 0.375 0.375 ] [ 0.035279 0.375 0.375 ] [ 0.125 0.285279 0.125 ] [ 0.625 0.464721 0.125 ] [ 0.375 0.714721 0.375 ] [ 0.625 0.625 0.964721 ] [ 0.785279 0.625 0.125 ] [ 0.464721 0.625 0.125 ] [ 0.625 0.625 0.285279 ] [ 0.375 0.875 0.535279 ] [ 0.375 0.875 0.214721 ] [ 0.375 0.035279 0.375 ] [ 0.214721 0.875 0.375 ] [ 0.535279 0.875 0.375 ] [ 0.625 0.785279 0.125 ] [ 0.625 0.964721 0.625 ] [ 0.375 0.214721 0.875 ] [ 0.625 0.125 0.464721 ] [ 0.785279 0.125 0.625 ] [ 0.464721 0.125 0.625 ] [ 0.625 0.125 0.785279 ] [ 0.375 0.375 0.035279 ] [ 0.375 0.375 0.714721 ] [ 0.375 0.535279 0.875 ] [ 0.214721 0.375 0.875 ] [ 0.535279 0.375 0.875 ] [ 0.625 0.285279 0.625 ] [ 0.74622 0.74622 0.74622 ] [ 0.25378 0.49622 0.49622 ] [ 0.99622 0.75378 0.49622 ] [ 0.99622 0.49622 0.75378 ] [ 0.00378 0.00378 0.74622 ] [ 0.25378 0.75378 0.75378 ] [ 0.74622 0.00378 0.00378 ] [ 0.00378 0.74622 0.00378 ] [ 0.74622 0.24622 0.24622 ] [ 0.25378 0.99622 0.99622 ] [ 0.99622 0.25378 0.99622 ] [ 0.99622 0.99622 0.25378 ] [ 0.00378 0.50378 0.24622 ] [ 0.25378 0.25378 0.25378 ] [ 0.74622 0.50378 0.50378 ] [ 0.00378 0.24622 0.50378 ] [ 0.24622 0.74622 0.24622 ] [ 0.75378 0.49622 0.99622 ] [ 0.49622 0.75378 0.99622 ] [ 0.49622 0.49622 0.25378 ] [ 0.50378 0.00378 0.24622 ] [ 0.75378 0.75378 0.25378 ] [ 0.24622 0.00378 0.50378 ] [ 0.50378 0.74622 0.50378 ] [ 0.24622 0.24622 0.74622 ] [ 0.75378 0.99622 0.49622 ] [ 0.49622 0.25378 0.49622 ] [ 0.49622 0.99622 0.75378 ] [ 0.50378 0.50378 0.74622 ] [ 0.75378 0.25378 0.75378 ] [ 0.24622 0.50378 0.00378 ] [ 0.50378 0.24622 0.00378 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "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" 13.3454376346 "source-unit" "angstrom" } }