{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75514 ] [ 0 0 0.00514 ] [ 0 0.5 0.25514 ] [ 0.5 0.5 0.50514 ] [ 0.5 0.5 0.985028 ] [ 0.5 0 0.235028 ] [ 0 0 0.485028 ] [ 0 0.5 0.735028 ] [ 0.5 0.5 0.768736 ] [ 0 0 0.781096 ] [ 0 0.5 0.031096 ] [ 0.5 0 0.018736 ] [ 0 0 0.268736 ] [ 0.5 0.5 0.281096 ] [ 0.5 0 0.531096 ] [ 0 0.5 0.518736 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11386534618 "source-unit" "angstrom" } "c" { "source-value" 13.2341644227 "source-unit" "angstrom" } }