{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.750405 0.129721 0.882399 ] [ 0.870279 0.750405 0.117601 ] [ 0.749595 0.370279 0.382399 ] [ 0.5 0.5 0 ] [ 0.129721 0.249595 0.117601 ] [ 0.250405 0.629721 0.382399 ] [ 0.370279 0.250405 0.617601 ] [ 0.249595 0.870279 0.882399 ] [ 0 0 0.5 ] [ 0.629721 0.749595 0.617601 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0.18014 0.931516 0.204858 ] [ 0.681325 0.078974 0.564355 ] [ 0.068484 0.18014 0.795142 ] [ 0.578974 0.818675 0.935645 ] [ 0.818675 0.421026 0.064355 ] [ 0.431516 0.31986 0.295142 ] [ 0.31986 0.568484 0.704858 ] [ 0.421026 0.181325 0.935645 ] [ 0.68014 0.431516 0.704858 ] [ 0.181325 0.578974 0.064355 ] [ 0.568484 0.68014 0.295142 ] [ 0.078974 0.318675 0.435645 ] [ 0.318675 0.921026 0.564355 ] [ 0.931516 0.81986 0.795142 ] [ 0.81986 0.068484 0.204858 ] [ 0.921026 0.681325 0.435645 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.84790543 "source-unit" "angstrom" } "c" { "source-value" 9.02397581 "source-unit" "angstrom" } }