{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.904112 ] [ 0 0.5 0.095888 ] [ 0.1956 0.143901 0.223866 ] [ 0.356099 0.6956 0.223866 ] [ 0.643901 0.3044 0.223866 ] [ 0.3044 0.356099 0.776134 ] [ 0.143901 0.8044 0.776134 ] [ 0.856099 0.1956 0.776134 ] [ 0.8044 0.856099 0.223866 ] [ 0.6956 0.643901 0.776134 ] [ 0 0.5 0.486916 ] [ 0.5 0 0.513084 ] [ 0.752839 0.089672 0.071319 ] [ 0.410328 0.252839 0.071319 ] [ 0.247161 0.910328 0.071319 ] [ 0.589672 0.747161 0.071319 ] [ 0.910328 0.752839 0.928681 ] [ 0.252839 0.589672 0.928681 ] [ 0.089672 0.247161 0.928681 ] [ 0.747161 0.410328 0.928681 ] ] } "species" { "source-value" [ "Ag" "Ag" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "O" "O" "O" "O" "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" 8.45607803 "source-unit" "angstrom" } "c" { "source-value" 6.55146704 "source-unit" "angstrom" } }