{ "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 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.244852 ] [ 0 0 0.755148 ] [ 0.244852 0 0 ] [ 0.755148 0 0 ] [ 0 0.244852 0 ] [ 0 0.755148 0 ] [ 0 0.5 0.744852 ] [ 0 0.5 0.255148 ] [ 0.244852 0.5 0.5 ] [ 0.755148 0.5 0.5 ] [ 0 0.744852 0.5 ] [ 0 0.255148 0.5 ] [ 0.5 0 0.744852 ] [ 0.5 0 0.255148 ] [ 0.744852 0 0.5 ] [ 0.255148 0 0.5 ] [ 0.5 0.244852 0.5 ] [ 0.5 0.755148 0.5 ] [ 0.5 0.5 0.244852 ] [ 0.5 0.5 0.755148 ] [ 0.744852 0.5 0 ] [ 0.255148 0.5 0 ] [ 0.5 0.744852 0 ] [ 0.5 0.255148 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Na" "Na" "Na" "Na" "Sm" "Sm" "Sm" "Sm" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "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" 11.0313218023 "source-unit" "angstrom" } }