{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.320972 0.141486 0.5 ] [ 0.679028 0.858514 0.5 ] [ 0.858514 0.320972 0.5 ] [ 0.141486 0.679028 0.5 ] [ 0.820972 0.641486 0 ] [ 0.179028 0.358514 0 ] [ 0.358514 0.820972 0 ] [ 0.641486 0.179028 0 ] [ 0.911027 0.748342 0.5 ] [ 0.088973 0.251658 0.5 ] [ 0.251658 0.911027 0.5 ] [ 0.748342 0.088973 0.5 ] [ 0.411027 0.248342 0 ] [ 0.588973 0.751658 0 ] [ 0.751658 0.411027 0 ] [ 0.248342 0.588973 0 ] ] } "species" { "source-value" [ "Th" "Th" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.24747214299 "source-unit" "angstrom" } "c" { "source-value" 3.34250086012 "source-unit" "angstrom" } }