{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.300656 0.816947 0 ] [ 0.699344 0.183053 0 ] [ 0.699344 0.816947 0 ] [ 0.183053 0 0.300656 ] [ 0 0.300656 0.183053 ] [ 0 0.300656 0.816947 ] [ 0.183053 0 0.699344 ] [ 0 0.699344 0.816947 ] [ 0.300656 0.183053 0 ] [ 0.816947 0 0.699344 ] [ 0 0.699344 0.183053 ] [ 0.816947 0 0.300656 ] [ 0.800656 0.316947 0.5 ] [ 0.199344 0.683053 0.5 ] [ 0.199344 0.316947 0.5 ] [ 0.683053 0.5 0.800656 ] [ 0.5 0.800656 0.683053 ] [ 0.5 0.800656 0.316947 ] [ 0.683053 0.5 0.199344 ] [ 0.5 0.199344 0.316947 ] [ 0.800656 0.683053 0.5 ] [ 0.316947 0.5 0.199344 ] [ 0.5 0.199344 0.683053 ] [ 0.316947 0.5 0.800656 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" } "a" { "source-value" 7.32468319771 "source-unit" "angstrom" } }