{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.75 0.25 0.25 ] [ 0.243236 0.334941 0.038458 ] [ 0.415059 0.493236 0.288458 ] [ 0.084941 0.506764 0.788458 ] [ 0.256764 0.665059 0.538458 ] [ 0.256764 0.165059 0.461542 ] [ 0.084941 0.006764 0.211542 ] [ 0.415059 0.993236 0.711542 ] [ 0.243236 0.834941 0.961542 ] [ 0.743236 0.834941 0.538458 ] [ 0.915059 0.993236 0.788458 ] [ 0.584941 0.006764 0.288458 ] [ 0.756764 0.165059 0.038458 ] [ 0.756764 0.665059 0.961542 ] [ 0.584941 0.506764 0.711542 ] [ 0.915059 0.493236 0.211542 ] [ 0.743236 0.334941 0.461542 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 6.95346395772 "source-unit" "angstrom" } "c" { "source-value" 9.40079525097 "source-unit" "angstrom" } }