{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/acd" } "basis-atom-coordinates" { "source-value" [ [ 0.191759 0.25 0.875 ] [ 0.75 0.691759 0.125 ] [ 0.25 0.308241 0.125 ] [ 0.808241 0.75 0.875 ] [ 0.308241 0.75 0.875 ] [ 0.25 0.808241 0.125 ] [ 0.75 0.191759 0.125 ] [ 0.691759 0.25 0.875 ] [ 0.691759 0.75 0.375 ] [ 0.25 0.191759 0.625 ] [ 0.75 0.808241 0.625 ] [ 0.308241 0.25 0.375 ] [ 0.808241 0.25 0.375 ] [ 0.75 0.308241 0.625 ] [ 0.25 0.691759 0.625 ] [ 0.191759 0.75 0.375 ] [ 0.058479 0.558479 0 ] [ 0.441521 0.558479 0.25 ] [ 0.558479 0.441521 0.25 ] [ 0.941521 0.441521 0 ] [ 0.941521 0.941521 0.25 ] [ 0.558479 0.941521 0 ] [ 0.441521 0.058479 0 ] [ 0.058479 0.058479 0.25 ] [ 0.558479 0.058479 0.5 ] [ 0.941521 0.058479 0.75 ] [ 0.058479 0.941521 0.75 ] [ 0.441521 0.941521 0.5 ] [ 0.441521 0.441521 0.75 ] [ 0.058479 0.441521 0.5 ] [ 0.941521 0.558479 0.5 ] [ 0.558479 0.558479 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.66554755065 "source-unit" "angstrom" } "c" { "source-value" 14.660119574 "source-unit" "angstrom" } }