{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0.269435 0.674651 0.668056 ] [ 0.825349 0.269435 0.418056 ] [ 0.174651 0.730565 0.418056 ] [ 0.730565 0.325349 0.668056 ] [ 0.269435 0.174651 0.581944 ] [ 0.825349 0.769435 0.831944 ] [ 0.174651 0.230565 0.831944 ] [ 0.730565 0.825349 0.581944 ] [ 0.769435 0.174651 0.168056 ] [ 0.325349 0.769435 0.918056 ] [ 0.674651 0.230565 0.918056 ] [ 0.230565 0.825349 0.168056 ] [ 0.769435 0.674651 0.081944 ] [ 0.325349 0.269435 0.331944 ] [ 0.674651 0.730565 0.331944 ] [ 0.230565 0.325349 0.081944 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.88853422 "source-unit" "angstrom" } "c" { "source-value" 10.59637732 "source-unit" "angstrom" } }