{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0 0.5 ] [ 0.5 0.75 0.57899 ] [ 0 0.75 0.32899 ] [ 0 0.75 0.92101 ] [ 0.5 0.75 0.17101 ] [ 0 0.25 0.07899 ] [ 0.5 0.25 0.82899 ] [ 0.5 0.25 0.42101 ] [ 0 0.25 0.67101 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.48956730341 "source-unit" "angstrom" } "c" { "source-value" 9.24866741346 "source-unit" "angstrom" } }