{ "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 0.839754 0.5 ] [ 0.660246 0 0 ] [ 0.339754 0 0 ] [ 0.5 0.160246 0.5 ] [ 0 0.339754 0 ] [ 0.160246 0.5 0.5 ] [ 0.839754 0.5 0.5 ] [ 0 0.660246 0 ] [ 0.342683 0.342683 0 ] [ 0.157317 0.842683 0.5 ] [ 0.342683 0.657317 0 ] [ 0.157317 0.157317 0.5 ] [ 0.842683 0.842683 0.5 ] [ 0.657317 0.342683 0 ] [ 0.842683 0.157317 0.5 ] [ 0.657317 0.657317 0 ] [ 0.5 0.808904 0 ] [ 0.691096 0 0.5 ] [ 0.308904 0 0.5 ] [ 0.5 0.191096 0 ] [ 0 0.308904 0.5 ] [ 0.191096 0.5 0 ] [ 0.808904 0.5 0 ] [ 0 0.691096 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 9.59842824 "source-unit" "angstrom" } "c" { "source-value" 4.68964033 "source-unit" "angstrom" } }