{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.5 ] [ 0 0.25 0.5 ] [ 0.5 0.25 0 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.25 0.5 0 ] [ 0.161597 0.161597 0.161597 ] [ 0.838403 0.161597 0.161597 ] [ 0.161597 0.838403 0.161597 ] [ 0.161597 0.161597 0.838403 ] [ 0.838403 0.161597 0.838403 ] [ 0.838403 0.838403 0.161597 ] [ 0.161597 0.838403 0.838403 ] [ 0.838403 0.838403 0.838403 ] [ 0.75 0.5 0 ] [ 0.5 0.75 0 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.75 0 0.5 ] [ 0.661597 0.661597 0.661597 ] [ 0.338403 0.661597 0.661597 ] [ 0.661597 0.338403 0.661597 ] [ 0.661597 0.661597 0.338403 ] [ 0.338403 0.661597 0.338403 ] [ 0.338403 0.338403 0.661597 ] [ 0.661597 0.338403 0.338403 ] [ 0.338403 0.338403 0.338403 ] [ 0.349849 0 0 ] [ 0 0.349849 0 ] [ 0 0.650151 0 ] [ 0 0 0.650151 ] [ 0 0 0.349849 ] [ 0.650151 0 0 ] [ 0.849849 0.5 0.5 ] [ 0.5 0.849849 0.5 ] [ 0.5 0.150151 0.5 ] [ 0.5 0.5 0.150151 ] [ 0.5 0.5 0.849849 ] [ 0.150151 0.5 0.5 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.46466045637 "source-unit" "angstrom" } }