{ "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" [ [ 0.125 0 0.75 ] [ 0.5 0.75 0.875 ] [ 0 0.75 0.125 ] [ 0.75 0.125 0 ] [ 0.75 0.875 0.5 ] [ 0.875 0.5 0.75 ] [ 0.625 0.5 0.25 ] [ 0 0.25 0.375 ] [ 0.5 0.25 0.625 ] [ 0.25 0.625 0.5 ] [ 0.25 0.375 0 ] [ 0.375 0 0.25 ] [ 0.829143 0.829143 0.829143 ] [ 0.579143 0.420857 0.920857 ] [ 0.420857 0.920857 0.579143 ] [ 0.920857 0.579143 0.420857 ] [ 0.170857 0.670857 0.829143 ] [ 0.670857 0.829143 0.170857 ] [ 0.079143 0.079143 0.079143 ] [ 0.829143 0.170857 0.670857 ] [ 0.329143 0.329143 0.329143 ] [ 0.079143 0.920857 0.420857 ] [ 0.920857 0.420857 0.079143 ] [ 0.420857 0.079143 0.920857 ] [ 0.670857 0.170857 0.329143 ] [ 0.170857 0.329143 0.670857 ] [ 0.579143 0.579143 0.579143 ] [ 0.329143 0.670857 0.170857 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.49806138084 "source-unit" "angstrom" } }