{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.807709 0.807709 0.807709 ] [ 0.192291 0.807709 0.192291 ] [ 0.192291 0.192291 0.807709 ] [ 0.807709 0.192291 0.192291 ] [ 0.307709 0.307709 0.307709 ] [ 0.692291 0.307709 0.692291 ] [ 0.692291 0.692291 0.307709 ] [ 0.307709 0.692291 0.692291 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.56895388 "source-unit" "angstrom" } }