{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.894225 ] [ 0.5 0.5 0.105775 ] [ 0 0 0.394225 ] [ 0 0 0.605775 ] [ 0 0 0 ] [ 0 0 0.787938 ] [ 0 0 0.212062 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.287938 ] [ 0.5 0.5 0.712062 ] [ 0 0 0.103833 ] [ 0 0 0.896167 ] [ 0 0.5 0 ] [ 0 0.5 0.780824 ] [ 0 0.5 0.219176 ] [ 0.5 0.5 0.603833 ] [ 0.5 0.5 0.396167 ] [ 0.5 0 0.5 ] [ 0.5 0 0.280824 ] [ 0.5 0 0.719176 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 3.45973344066 "source-unit" "angstrom" } "b" { "source-value" 3.9516199639 "source-unit" "angstrom" } "c" { "source-value" 18.698944822 "source-unit" "angstrom" } }