{ "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" [ [ 0.159489 0.659489 0.5 ] [ 0.840511 0.659489 0 ] [ 0.159489 0.340511 0 ] [ 0.340511 0.840511 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.659489 0.159489 0 ] [ 0.340511 0.159489 0.5 ] [ 0.659489 0.840511 0.5 ] [ 0.840511 0.340511 0.5 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.643737 0.143737 0.306042 ] [ 0.356263 0.856263 0.306042 ] [ 0.143737 0.643737 0.193958 ] [ 0.643737 0.856263 0.806042 ] [ 0.856263 0.356263 0.193958 ] [ 0.143737 0.356263 0.693958 ] [ 0.356263 0.143737 0.193958 ] [ 0.856263 0.643737 0.306042 ] [ 0.143737 0.643737 0.806042 ] [ 0.856263 0.356263 0.806042 ] [ 0.643737 0.143737 0.693958 ] [ 0.143737 0.356263 0.306042 ] [ 0.356263 0.856263 0.693958 ] [ 0.643737 0.856263 0.193958 ] [ 0.856263 0.643737 0.693958 ] [ 0.356263 0.143737 0.806042 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.01695434864 "source-unit" "angstrom" } "c" { "source-value" 11.1363020907 "source-unit" "angstrom" } }