{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.319051 0.25 ] [ 0 0.680949 0.75 ] [ 0.5 0.819051 0.25 ] [ 0.5 0.180949 0.75 ] [ 0 0.34943 0.75 ] [ 0 0.65057 0.25 ] [ 0.5 0.84943 0.75 ] [ 0.5 0.15057 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.741661 0.037844 0.25 ] [ 0.258339 0.962156 0.75 ] [ 0.741661 0.962156 0.75 ] [ 0.258339 0.037844 0.25 ] [ 0 0.241338 0.555125 ] [ 0 0.758662 0.055125 ] [ 0 0.241338 0.944875 ] [ 0 0.758662 0.444875 ] [ 0.241661 0.537844 0.25 ] [ 0.758339 0.462156 0.75 ] [ 0.241661 0.462156 0.75 ] [ 0.758339 0.537844 0.25 ] [ 0.5 0.741338 0.555125 ] [ 0.5 0.258662 0.055125 ] [ 0.5 0.741338 0.944875 ] [ 0.5 0.258662 0.444875 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.94926891755 "source-unit" "angstrom" } "b" { "source-value" 9.31093684811 "source-unit" "angstrom" } "c" { "source-value" 7.13405347 "source-unit" "angstrom" } }