{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.348698 0 0 ] [ 0 0.651302 0 ] [ 0 0.348698 0 ] [ 0.651302 0 0 ] [ 0.780014 0 0.5 ] [ 0 0.219986 0.5 ] [ 0 0.780014 0.5 ] [ 0.219986 0 0.5 ] [ 0.848698 0.5 0.5 ] [ 0.5 0.151302 0.5 ] [ 0.5 0.848698 0.5 ] [ 0.151302 0.5 0.5 ] [ 0.280014 0.5 0 ] [ 0.5 0.719986 0 ] [ 0.5 0.280014 0 ] [ 0.719986 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.86298104801 "source-unit" "angstrom" } "c" { "source-value" 5.12135991576 "source-unit" "angstrom" } }