{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.875 0.5 0.75 ] [ 0.75 0.875 0.5 ] [ 0.75 0.125 0 ] [ 0 0.75 0.125 ] [ 0.5 0.75 0.875 ] [ 0.125 0 0.75 ] [ 0.375 0 0.25 ] [ 0.25 0.375 0 ] [ 0.25 0.625 0.5 ] [ 0.5 0.25 0.625 ] [ 0 0.25 0.375 ] [ 0.625 0.5 0.25 ] [ 0.079223 0.079223 0.079223 ] [ 0.829223 0.170777 0.670777 ] [ 0.670777 0.829223 0.170777 ] [ 0.170777 0.670777 0.829223 ] [ 0.920777 0.579223 0.420777 ] [ 0.420777 0.920777 0.579223 ] [ 0.579223 0.420777 0.920777 ] [ 0.829223 0.829223 0.829223 ] [ 0.579223 0.579223 0.579223 ] [ 0.329223 0.670777 0.170777 ] [ 0.170777 0.329223 0.670777 ] [ 0.670777 0.170777 0.329223 ] [ 0.420777 0.079223 0.920777 ] [ 0.920777 0.420777 0.079223 ] [ 0.079223 0.920777 0.420777 ] [ 0.329223 0.329223 0.329223 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.64637189467 "source-unit" "angstrom" } }