{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.262839 ] [ 0.5 0.5 0.762839 ] [ 0.203748 0.796252 0.444733 ] [ 0.796252 0.203748 0.444733 ] [ 0.703748 0.703748 0.944733 ] [ 0.296252 0.296252 0.944733 ] [ 0.80801 0.80801 0.048847 ] [ 0.19199 0.19199 0.048847 ] [ 0.69199 0.30801 0.548847 ] [ 0.30801 0.69199 0.548847 ] ] } "species" { "source-value" [ "Cd" "Cd" "C" "C" "C" "C" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.48292947 "source-unit" "angstrom" } "c" { "source-value" 6.43030274 "source-unit" "angstrom" } }