{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.334161 0.355423 0.5 ] [ 0.665839 0.644577 0.5 ] [ 0.165839 0.855423 0.5 ] [ 0.834161 0.144577 0.5 ] [ 0.355423 0.665839 0 ] [ 0.644577 0.334161 0 ] [ 0.144577 0.165839 0 ] [ 0.855423 0.834161 0 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.366953 0.093626 0.5 ] [ 0.633047 0.906374 0.5 ] [ 0.133047 0.593626 0.5 ] [ 0.866953 0.406374 0.5 ] [ 0.406374 0.133047 0 ] [ 0.593626 0.866953 0 ] [ 0.093626 0.633047 0 ] [ 0.906374 0.366953 0 ] [ 0.171844 0.328156 0.75 ] [ 0.828156 0.671844 0.75 ] [ 0.328156 0.828156 0.25 ] [ 0.671844 0.171844 0.25 ] [ 0.328156 0.828156 0.75 ] [ 0.671844 0.171844 0.75 ] [ 0.171844 0.328156 0.25 ] [ 0.828156 0.671844 0.25 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.024848895 "source-unit" "angstrom" } "c" { "source-value" 6.78006572 "source-unit" "angstrom" } }