{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.765035 0.765035 0.765035 ] [ 0.734965 0.234965 0.265035 ] [ 0.265035 0.734965 0.234965 ] [ 0.234965 0.265035 0.734965 ] [ 0.531732 0.531732 0.531732 ] [ 0.968268 0.468268 0.031732 ] [ 0.031732 0.968268 0.468268 ] [ 0.468268 0.031732 0.968268 ] [ 0.0286 0.0286 0.0286 ] [ 0.4714 0.9714 0.5286 ] [ 0.5286 0.4714 0.9714 ] [ 0.9714 0.5286 0.4714 ] [ 0.255893 0.255893 0.255893 ] [ 0.244107 0.744107 0.755893 ] [ 0.755893 0.244107 0.744107 ] [ 0.744107 0.755893 0.244107 ] [ 0.96297 0.755651 0.205065 ] [ 0.205065 0.96297 0.755651 ] [ 0.755651 0.205065 0.96297 ] [ 0.744349 0.794935 0.46297 ] [ 0.705065 0.53703 0.244349 ] [ 0.244349 0.705065 0.53703 ] [ 0.294935 0.03703 0.255651 ] [ 0.794935 0.46297 0.744349 ] [ 0.255651 0.294935 0.03703 ] [ 0.46297 0.744349 0.794935 ] [ 0.03703 0.255651 0.294935 ] [ 0.53703 0.244349 0.705065 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.44133407 "source-unit" "angstrom" } }