{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.280998 0 0 ] [ 0 0.280998 0 ] [ 0 0.719002 0 ] [ 0 0 0.719002 ] [ 0 0 0.280998 ] [ 0.719002 0 0 ] [ 0.780998 0.5 0.5 ] [ 0.5 0.780998 0.5 ] [ 0.5 0.219002 0.5 ] [ 0.5 0.5 0.219002 ] [ 0.5 0.5 0.780998 ] [ 0.219002 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.5 0.837378 0.837378 ] [ 0.662622 0 0.337378 ] [ 0.837378 0.5 0.837378 ] [ 0.837378 0.837378 0.5 ] [ 0.662622 0.337378 0 ] [ 0 0.662622 0.337378 ] [ 0 0.337378 0.662622 ] [ 0.162622 0.162622 0.5 ] [ 0.337378 0 0.662622 ] [ 0.337378 0.662622 0 ] [ 0.162622 0.5 0.162622 ] [ 0.5 0.162622 0.162622 ] [ 0 0.337378 0.337378 ] [ 0.162622 0.5 0.837378 ] [ 0.337378 0 0.337378 ] [ 0.337378 0.337378 0 ] [ 0.162622 0.837378 0.5 ] [ 0.5 0.162622 0.837378 ] [ 0.5 0.837378 0.162622 ] [ 0.662622 0.662622 0 ] [ 0.837378 0.5 0.162622 ] [ 0.837378 0.162622 0.5 ] [ 0.662622 0 0.662622 ] [ 0 0.662622 0.662622 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.80934294589 "source-unit" "angstrom" } }