{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_332" } "basis-atom-coordinates" { "source-value" [ [ 0.625 0.375 0.875 ] [ 0.375 0.875 0.625 ] [ 0.875 0.625 0.375 ] [ 0.125 0.125 0.125 ] [ 0.831912 0.831912 0.831912 ] [ 0.581912 0.918088 0.081912 ] [ 0.918088 0.081912 0.581912 ] [ 0.081912 0.581912 0.918088 ] [ 0.418088 0.418088 0.418088 ] [ 0.168088 0.331912 0.668088 ] [ 0.668088 0.168088 0.331912 ] [ 0.331912 0.668088 0.168088 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.77143949 "source-unit" "angstrom" } }