{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.354344 0.854344 0.5 ] [ 0.145656 0.645656 0 ] [ 0.145656 0.354344 0.5 ] [ 0.354344 0.145656 0 ] [ 0.854344 0.354344 0 ] [ 0.645656 0.145656 0.5 ] [ 0.645656 0.854344 0 ] [ 0.854344 0.645656 0.5 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.89949648397 "source-unit" "angstrom" } "c" { "source-value" 4.13126322285 "source-unit" "angstrom" } }