{ "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" [ [ 0.5 0.5 0.144239 ] [ 0.5 0.5 0.855761 ] [ 0 0 0.644239 ] [ 0 0 0.355761 ] [ 0 0 0.802382 ] [ 0 0 0.197618 ] [ 0 0 0.894551 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.947963 ] [ 0 0.5 0.947963 ] [ 0.5 0 0.052037 ] [ 0 0.5 0.052037 ] [ 0 0 0.105449 ] [ 0.5 0.5 0.302382 ] [ 0.5 0.5 0.697618 ] [ 0.5 0.5 0.394551 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.447963 ] [ 0.5 0 0.447963 ] [ 0 0.5 0.552037 ] [ 0.5 0 0.552037 ] [ 0.5 0.5 0.605449 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.41982175161 "source-unit" "angstrom" } "c" { "source-value" 26.1755776605 "source-unit" "angstrom" } }