{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.136917 0.636917 0.5 ] [ 0.636917 0.863083 0.5 ] [ 0.863083 0.363083 0.5 ] [ 0.363083 0.136917 0.5 ] [ 0.838338 0.661662 0.5 ] [ 0.338338 0.838338 0.5 ] [ 0.661662 0.161662 0.5 ] [ 0.161662 0.338338 0.5 ] ] } "species" { "source-value" [ "Tb" "Tb" "B" "B" "B" "B" "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" 5.35821667 "source-unit" "angstrom" } "c" { "source-value" 3.60098856 "source-unit" "angstrom" } }