{ "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 0.271468 0.946665 ] [ 0.25 0.228532 0.446665 ] [ 0.25 0.035279 0.227775 ] [ 0.75 0.464721 0.727775 ] [ 0.75 0.771468 0.553335 ] [ 0.25 0.728532 0.053335 ] [ 0.75 0.964721 0.772225 ] [ 0.25 0.535279 0.272225 ] [ 0.25 0.137228 0.650775 ] [ 0.75 0.362772 0.150775 ] [ 0.75 0.862772 0.349225 ] [ 0.25 0.637228 0.849225 ] [ 0.75 0.755621 0.183157 ] [ 0.25 0.244379 0.816843 ] [ 0.25 0.744379 0.683157 ] [ 0.75 0.257956 0.570715 ] [ 0.75 0.255621 0.316843 ] [ 0.25 0.742044 0.429285 ] [ 0.75 0.757956 0.929285 ] [ 0.25 0.242044 0.070715 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.65808942 "source-unit" "angstrom" } "b" { "source-value" 7.34462347 "source-unit" "angstrom" } "c" { "source-value" 17.68074902 "source-unit" "angstrom" } }