{ "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 0.240237 0.340826 ] [ 0.25 0.759763 0.659174 ] [ 0.75 0.740237 0.159174 ] [ 0.25 0.259763 0.840826 ] [ 0.75 0.559791 0.387063 ] [ 0.25 0.440209 0.612937 ] [ 0.75 0.059791 0.112937 ] [ 0.25 0.940209 0.887063 ] [ 0.75 0.584052 0.899103 ] [ 0.25 0.415948 0.100897 ] [ 0.75 0.084052 0.600897 ] [ 0.25 0.915948 0.399103 ] [ 0.75 0.798493 0.837828 ] [ 0.25 0.201507 0.162172 ] [ 0.75 0.298493 0.662172 ] [ 0.25 0.701507 0.337828 ] [ 0.75 0.882281 0.525055 ] [ 0.25 0.117719 0.474945 ] [ 0.75 0.382281 0.974945 ] [ 0.25 0.617719 0.025055 ] [ 0.75 0.47089 0.214198 ] [ 0.25 0.52911 0.785802 ] [ 0.75 0.97089 0.285802 ] [ 0.25 0.02911 0.714198 ] [ 0.75 0.582011 0.573673 ] [ 0.25 0.417989 0.426327 ] [ 0.75 0.082011 0.926327 ] [ 0.25 0.917989 0.073673 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 3.03758394 "source-unit" "angstrom" } "b" { "source-value" 9.19878243 "source-unit" "angstrom" } "c" { "source-value" 10.79494018 "source-unit" "angstrom" } }