{ "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" [ [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.244836 0 0 ] [ 0.755164 0 0 ] [ 0 0 0.755164 ] [ 0 0 0.244836 ] [ 0 0.755164 0 ] [ 0 0.244836 0 ] [ 0.244836 0.5 0.5 ] [ 0.755164 0.5 0.5 ] [ 0 0.5 0.255164 ] [ 0 0.5 0.744836 ] [ 0 0.255164 0.5 ] [ 0 0.744836 0.5 ] [ 0.744836 0 0.5 ] [ 0.255164 0 0.5 ] [ 0.5 0 0.255164 ] [ 0.5 0 0.744836 ] [ 0.5 0.755164 0.5 ] [ 0.5 0.244836 0.5 ] [ 0.744836 0.5 0 ] [ 0.255164 0.5 0 ] [ 0.5 0.5 0.755164 ] [ 0.5 0.5 0.244836 ] [ 0.5 0.255164 0 ] [ 0.5 0.744836 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "W" "W" "W" "W" "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" [ "fcc" ] } "a" { "source-value" 8.03570465224 "source-unit" "angstrom" } }