{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.379248 0.120752 0.879248 ] [ 0.120752 0.879248 0.379248 ] [ 0.879248 0.379248 0.120752 ] [ 0.620752 0.620752 0.620752 ] [ 0.379248 0.379248 0.379248 ] [ 0.120752 0.620752 0.879248 ] [ 0.879248 0.120752 0.620752 ] [ 0.620752 0.879248 0.120752 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "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" 6.00849141 "source-unit" "angstrom" } }