{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.992562 ] [ 0 0 0.492562 ] [ 0 0.5 0.238742 ] [ 0.5 0 0.238742 ] [ 0.5 0 0.738742 ] [ 0 0.5 0.738742 ] [ 0 0 0.979732 ] [ 0.5 0.5 0.479732 ] [ 0.697907 0.697907 0.521801 ] [ 0 0 0.786931 ] [ 0.197907 0.802093 0.021801 ] [ 0.5 0.5 0.286931 ] [ 0.802093 0.197907 0.021801 ] [ 0.302093 0.302093 0.521801 ] [ 0 0 0.220909 ] [ 0.224355 0.224355 0.998799 ] [ 0.275645 0.724355 0.498799 ] [ 0.5 0.5 0.720909 ] [ 0.724355 0.275645 0.498799 ] [ 0.775645 0.775645 0.998799 ] ] } "species" { "source-value" [ "K" "K" "Rb" "Rb" "Rb" "Rb" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.40877841 "source-unit" "angstrom" } "c" { "source-value" 9.24059153 "source-unit" "angstrom" } }