{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.757736 0.177084 ] [ 0.25 0.242264 0.822916 ] [ 0.75 0.257736 0.322916 ] [ 0.25 0.742264 0.677084 ] [ 0.25 0.078208 0.543089 ] [ 0.75 0.921792 0.456911 ] [ 0.75 0.421792 0.043089 ] [ 0.25 0.578208 0.956911 ] [ 0.75 0.94406 0.888153 ] [ 0.25 0.05594 0.111847 ] [ 0.75 0.44406 0.611847 ] [ 0.25 0.55594 0.388153 ] [ 0.25 0.841148 0.961137 ] [ 0.75 0.158852 0.038863 ] [ 0.75 0.658852 0.461137 ] [ 0.25 0.341148 0.538863 ] [ 0.75 0.522153 0.830702 ] [ 0.25 0.477847 0.169298 ] [ 0.75 0.022153 0.669298 ] [ 0.25 0.977847 0.330702 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 4.22958762 "source-unit" "angstrom" } "b" { "source-value" 9.62848311 "source-unit" "angstrom" } "c" { "source-value" 10.86842084 "source-unit" "angstrom" } }