{ "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 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.246841 ] [ 0.753159 0 0 ] [ 0.246841 0 0 ] [ 0 0 0.753159 ] [ 0 0.753159 0 ] [ 0 0.246841 0 ] [ 0 0.5 0.746841 ] [ 0.753159 0.5 0.5 ] [ 0.246841 0.5 0.5 ] [ 0 0.5 0.253159 ] [ 0 0.253159 0.5 ] [ 0 0.746841 0.5 ] [ 0.5 0 0.746841 ] [ 0.253159 0 0.5 ] [ 0.746841 0 0.5 ] [ 0.5 0 0.253159 ] [ 0.5 0.753159 0.5 ] [ 0.5 0.246841 0.5 ] [ 0.5 0.5 0.246841 ] [ 0.253159 0.5 0 ] [ 0.746841 0.5 0 ] [ 0.5 0.5 0.753159 ] [ 0.5 0.253159 0 ] [ 0.5 0.746841 0 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Te" "Te" "Te" "Te" "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" 10.3739011622 "source-unit" "angstrom" } }