{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.665431 ] [ 0 0 0.334569 ] [ 0.5 0.5 0.834569 ] [ 0.5 0.5 0.165431 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.81701 0.81701 0.854279 ] [ 0.81701 0.81701 0.145721 ] [ 0.777773 0.777773 0.5 ] [ 0.277773 0.722227 0 ] [ 0.31701 0.68299 0.645721 ] [ 0.31701 0.68299 0.354279 ] [ 0.68299 0.31701 0.645721 ] [ 0.68299 0.31701 0.354279 ] [ 0.722227 0.277773 0 ] [ 0.222227 0.222227 0.5 ] [ 0.18299 0.18299 0.854279 ] [ 0.18299 0.18299 0.145721 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.9991356 "source-unit" "angstrom" } "c" { "source-value" 10.10404781 "source-unit" "angstrom" } }