{ "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" [ [ 0.342709 0 0 ] [ 0 0.342709 0 ] [ 0 0.657291 0 ] [ 0 0 0.657291 ] [ 0 0 0.342709 ] [ 0.657291 0 0 ] [ 0.842709 0.5 0.5 ] [ 0.5 0.842709 0.5 ] [ 0.5 0.157291 0.5 ] [ 0.5 0.5 0.157291 ] [ 0.5 0.5 0.842709 ] [ 0.157291 0.5 0.5 ] [ 0.835129 0.164871 0.164871 ] [ 0.164871 0.835129 0.164871 ] [ 0.835129 0.835129 0.835129 ] [ 0.164871 0.164871 0.835129 ] [ 0.335129 0.664871 0.664871 ] [ 0.664871 0.335129 0.664871 ] [ 0.335129 0.335129 0.335129 ] [ 0.664871 0.664871 0.335129 ] [ 0.163954 0.163954 0.163954 ] [ 0.5 0 0.25 ] [ 0.836046 0.163954 0.836046 ] [ 0.25 0 0.5 ] [ 0 0.5 0.25 ] [ 0.25 0.5 0 ] [ 0.163954 0.836046 0.836046 ] [ 0.836046 0.836046 0.163954 ] [ 0 0.75 0.5 ] [ 0.5 0.75 0 ] [ 0.663954 0.663954 0.663954 ] [ 0 0.5 0.75 ] [ 0.336046 0.663954 0.336046 ] [ 0.75 0.5 0 ] [ 0.5 0 0.75 ] [ 0.75 0 0.5 ] [ 0.663954 0.336046 0.336046 ] [ 0.336046 0.336046 0.663954 ] [ 0.5 0.25 0 ] [ 0 0.25 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.92134871112 "source-unit" "angstrom" } }