{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.797881 0.297881 0.811395 ] [ 0.297881 0.797881 0.188605 ] [ 0.702119 0.797881 0.811395 ] [ 0.797881 0.702119 0.188605 ] [ 0.5 0.5 0 ] [ 0.202119 0.297881 0.188605 ] [ 0 0 0 ] [ 0.297881 0.202119 0.811395 ] [ 0.702119 0.202119 0.188605 ] [ 0.202119 0.702119 0.811395 ] [ 0.5 0.5 0.324524 ] [ 0 0 0.675476 ] [ 0 0.5 0 ] [ 0.5 0.5 0.675476 ] [ 0 0 0.324524 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.09085646 "source-unit" "angstrom" } "c" { "source-value" 11.48144946 "source-unit" "angstrom" } }