{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.290724 ] [ 0 0 0.709276 ] [ 0.5 0.5 0.709276 ] [ 0 0 0.290724 ] [ 0.311006 0.811006 0 ] [ 0.188994 0.311006 0 ] [ 0.811006 0.688994 0 ] [ 0.688994 0.188994 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Fe" "Fe" "F" "F" "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" 5.45708408 "source-unit" "angstrom" } "c" { "source-value" 6.58152379 "source-unit" "angstrom" } }