{ "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 0.67946 0.75 ] [ 0 0.32054 0.25 ] [ 0.5 0.17946 0.75 ] [ 0.5 0.82054 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.129576 0.75 ] [ 0 0.870424 0.25 ] [ 0.5 0.629576 0.75 ] [ 0.5 0.370424 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "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" 6.09621200165 "source-unit" "angstrom" } "b" { "source-value" 10.3415355156 "source-unit" "angstrom" } "c" { "source-value" 5.04687024 "source-unit" "angstrom" } }