{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.816968 0.25 ] [ 0 0.183032 0.75 ] [ 0.5 0.316968 0.25 ] [ 0.5 0.683032 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.842763 0.915379 0.75 ] [ 0.842763 0.084621 0.25 ] [ 0.157237 0.084621 0.25 ] [ 0.157237 0.915379 0.75 ] [ 0.342763 0.415379 0.75 ] [ 0.342763 0.584621 0.25 ] [ 0.657237 0.584621 0.25 ] [ 0.657237 0.415379 0.75 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Ru" "Ru" "Ru" "Ru" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37658603 "source-unit" "angstrom" } "b" { "source-value" 9.30538404 "source-unit" "angstrom" } "c" { "source-value" 5.25034931 "source-unit" "angstrom" } }