{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.653403 0.303294 0.5 ] [ 0.696706 0.653403 0 ] [ 0.303294 0.346597 0 ] [ 0.346597 0.696706 0.5 ] [ 0.187708 0.252365 0.326023 ] [ 0.747635 0.187708 0.826023 ] [ 0.252365 0.812292 0.826023 ] [ 0.812292 0.747635 0.326023 ] [ 0.812292 0.747635 0.673977 ] [ 0.252365 0.812292 0.173977 ] [ 0.747635 0.187708 0.173977 ] [ 0.187708 0.252365 0.673977 ] ] } "species" { "source-value" [ "Tb" "Tb" "Cd" "Cd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.38053896 "source-unit" "angstrom" } "c" { "source-value" 7.88736957 "source-unit" "angstrom" } }