{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mcc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.692864 0.854719 0.629667 ] [ 0.307136 0.145281 0.629667 ] [ 0.854719 0.692864 0.870333 ] [ 0.854719 0.307136 0.629667 ] [ 0.145281 0.692864 0.629667 ] [ 0.307136 0.854719 0.870333 ] [ 0.854719 0.692864 0.129667 ] [ 0.307136 0.854719 0.129667 ] [ 0.692864 0.145281 0.129667 ] [ 0.854719 0.307136 0.370333 ] [ 0.145281 0.692864 0.370333 ] [ 0.145281 0.307136 0.129667 ] [ 0.692864 0.854719 0.370333 ] [ 0.307136 0.145281 0.370333 ] [ 0.145281 0.307136 0.870333 ] [ 0.692864 0.145281 0.870333 ] ] } "species" { "source-value" [ "Cd" "Cd" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.89164721 "source-unit" "angstrom" } "c" { "source-value" 10.53472079 "source-unit" "angstrom" } }