{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0.346983 0.846983 0.75 ] [ 0.846983 0.653017 0.75 ] [ 0.846983 0.653017 0.25 ] [ 0.346983 0.846983 0.25 ] [ 0.653017 0.153017 0.25 ] [ 0.153017 0.346983 0.25 ] [ 0.653017 0.153017 0.75 ] [ 0.153017 0.346983 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.363049 0.185938 0.5 ] [ 0.636951 0.814062 0.5 ] [ 0.185938 0.636951 0.5 ] [ 0.814062 0.363049 0.5 ] [ 0.685938 0.863049 0 ] [ 0.136951 0.685938 0 ] [ 0.863049 0.314062 0 ] [ 0.314062 0.136951 0 ] [ 0.5 0.5 0.784221 ] [ 0 0 0.715779 ] [ 0 0 0.284221 ] [ 0.5 0.5 0.215779 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Hg" "Hg" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.11194414 "source-unit" "angstrom" } "c" { "source-value" 9.13436889 "source-unit" "angstrom" } }