{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.188799 0.188799 0.751694 ] [ 0.762883 0.562183 0.5 ] [ 0.437817 0.237117 0.5 ] [ 0.737117 0.062183 0 ] [ 0.311201 0.688799 0.251694 ] [ 0.902665 0.097335 0.5 ] [ 0.262883 0.937817 0 ] [ 0.311201 0.688799 0.748306 ] [ 0.688799 0.311201 0.251694 ] [ 0.188799 0.188799 0.248306 ] [ 0.597335 0.597335 0 ] [ 0.237117 0.437817 0.5 ] [ 0.937817 0.262883 0 ] [ 0.811201 0.811201 0.248306 ] [ 0.402665 0.402665 0 ] [ 0.097335 0.902665 0.5 ] [ 0.062183 0.737117 0 ] [ 0.688799 0.311201 0.748306 ] [ 0.811201 0.811201 0.751694 ] [ 0.562183 0.762883 0.5 ] [ 0.465349 0.136687 0 ] [ 0.863313 0.534651 0 ] [ 0.965349 0.363313 0.5 ] [ 0.363313 0.965349 0.5 ] [ 0.636687 0.034651 0.5 ] [ 0.136687 0.465349 0 ] [ 0.534651 0.863313 0 ] [ 0.034651 0.636687 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.92001899055 "source-unit" "angstrom" } "c" { "source-value" 5.41655091001 "source-unit" "angstrom" } }