{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.814916 0.5 ] [ 0.685084 0 0 ] [ 0.314916 0 0 ] [ 0.5 0.185084 0.5 ] [ 0 0.314916 0 ] [ 0.185084 0.5 0.5 ] [ 0.814916 0.5 0.5 ] [ 0 0.685084 0 ] [ 0.855734 0.855734 0.5 ] [ 0.144266 0.855734 0.5 ] [ 0.355734 0.644266 0 ] [ 0.644266 0.644266 0 ] [ 0.355734 0.355734 0 ] [ 0.644266 0.355734 0 ] [ 0.855734 0.144266 0.5 ] [ 0.144266 0.144266 0.5 ] [ 0.5 0.788155 0 ] [ 0.711845 0 0.5 ] [ 0.288155 0 0.5 ] [ 0.5 0.211845 0 ] [ 0 0.288155 0.5 ] [ 0.211845 0.5 0 ] [ 0.788155 0.5 0 ] [ 0 0.711845 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 10.24093255 "source-unit" "angstrom" } "c" { "source-value" 5.90333548 "source-unit" "angstrom" } }