{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.176726 ] [ 0.5 0.5 0.823274 ] [ 0 0 0.676726 ] [ 0 0 0.323274 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.13325 ] [ 0 0 0.86675 ] [ 0.5 0.5 0.63325 ] [ 0.5 0.5 0.36675 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Zr" "Zr" "Zr" "Zr" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.27659090061 "source-unit" "angstrom" } "c" { "source-value" 16.657918825 "source-unit" "angstrom" } }