{ "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 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.829767 0.670233 0 ] [ 0.329767 0.829767 0 ] [ 0.670233 0.829767 0.5 ] [ 0.670233 0.170233 0 ] [ 0.329767 0.170233 0.5 ] [ 0.829767 0.329767 0.5 ] [ 0.170233 0.329767 0 ] [ 0.170233 0.670233 0.5 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "W" "W" "W" "W" "W" "W" "W" "W" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.59212587735 "source-unit" "angstrom" } "c" { "source-value" 4.79671678486 "source-unit" "angstrom" } }