{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.1956 0.6956 0.5 ] [ 0.6956 0.8044 0.5 ] [ 0.3044 0.1956 0.5 ] [ 0.8044 0.3044 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.398613 0.898613 0.803714 ] [ 0.601387 0.101387 0.803714 ] [ 0.101387 0.398613 0.803714 ] [ 0.898613 0.601387 0.803714 ] [ 0.398613 0.898613 0.196286 ] [ 0.898613 0.601387 0.196286 ] [ 0.101387 0.398613 0.196286 ] [ 0.601387 0.101387 0.196286 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.856382 0.356382 0 ] [ 0.356382 0.143618 0 ] [ 0.643618 0.856382 0 ] [ 0.143618 0.643618 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Si" "Si" "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" } "a" { "source-value" 8.47418616 "source-unit" "angstrom" } "c" { "source-value" 6.24047018 "source-unit" "angstrom" } }