{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.200031 0 0 ] [ 0 0.200031 0 ] [ 0 0.799969 0 ] [ 0.799969 0 0 ] [ 0 0 0.200031 ] [ 0 0 0.799969 ] [ 0.200031 0.5 0.5 ] [ 0 0.700031 0.5 ] [ 0 0.299969 0.5 ] [ 0.799969 0.5 0.5 ] [ 0 0.5 0.700031 ] [ 0 0.5 0.299969 ] [ 0.700031 0 0.5 ] [ 0.5 0.200031 0.5 ] [ 0.5 0.799969 0.5 ] [ 0.299969 0 0.5 ] [ 0.5 0 0.700031 ] [ 0.5 0 0.299969 ] [ 0.700031 0.5 0 ] [ 0.5 0.700031 0 ] [ 0.5 0.299969 0 ] [ 0.299969 0.5 0 ] [ 0.5 0.5 0.200031 ] [ 0.5 0.5 0.799969 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.61166853963 "source-unit" "angstrom" } }