{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.249345 ] [ 0 0.5 0.999345 ] [ 0 0 0.749345 ] [ 0.5 0 0.499345 ] [ 0.5 0.5 0.830045 ] [ 0.5 0 0.080045 ] [ 0 0 0.330045 ] [ 0 0.5 0.580045 ] [ 0.5 0 0.91508 ] [ 0 0 0.16508 ] [ 0 0.5 0.41508 ] [ 0.5 0.5 0.66508 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "P" "P" "P" "P" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.03103278534 "source-unit" "angstrom" } "c" { "source-value" 14.4232110089 "source-unit" "angstrom" } }