{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.079035 0.5 ] [ 0.5 0.920965 0.5 ] [ 0 0.579035 0.5 ] [ 0 0.420965 0.5 ] [ 0.5 0.222358 0.5 ] [ 0.5 0.777642 0.5 ] [ 0 0.722358 0.5 ] [ 0 0.277642 0.5 ] [ 0 0.825048 0 ] [ 0 0 0 ] [ 0 0.174952 0 ] [ 0.5 0.325048 0 ] [ 0.5 0.5 0 ] [ 0.5 0.674952 0 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "B" "B" "B" "B" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.03895221042 "source-unit" "angstrom" } "b" { "source-value" 17.8263321134 "source-unit" "angstrom" } "c" { "source-value" 2.94262062 "source-unit" "angstrom" } }