{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.788143 0.288143 0 ] [ 0.711857 0.788143 0 ] [ 0.288143 0.211857 0 ] [ 0.211857 0.711857 0 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.288143 0.788143 0.5 ] [ 0.211857 0.288143 0.5 ] [ 0.788143 0.711857 0.5 ] [ 0.711857 0.211857 0.5 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "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" 5.3398480021 "source-unit" "angstrom" } "c" { "source-value" 7.65824978025 "source-unit" "angstrom" } }