{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.759735 0.759735 0 ] [ 0.240265 0.759735 0.5 ] [ 0.759735 0.240265 0.5 ] [ 0.240265 0.240265 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.738005 0.738005 0.654523 ] [ 0.261995 0.261995 0.654523 ] [ 0.738005 0.738005 0.345477 ] [ 0.738005 0.261995 0.154523 ] [ 0.261995 0.738005 0.845477 ] [ 0.261995 0.261995 0.345477 ] [ 0.261995 0.738005 0.154523 ] [ 0.738005 0.261995 0.845477 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.63214823 "source-unit" "angstrom" } "c" { "source-value" 13.38336134 "source-unit" "angstrom" } }