{ "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 0.33558 ] [ 0.5 0.5 0.83558 ] [ 0 0 0.66442 ] [ 0.5 0.5 0.16442 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.691173 0.691173 0.660714 ] [ 0.308827 0.308827 0.660714 ] [ 0.691173 0.691173 0.339286 ] [ 0.191173 0.808827 0.160714 ] [ 0.808827 0.191173 0.160714 ] [ 0.808827 0.191173 0.839286 ] [ 0.297472 0.297472 0 ] [ 0.202528 0.797472 0.5 ] [ 0.797472 0.202528 0.5 ] [ 0.191173 0.808827 0.839286 ] [ 0.308827 0.308827 0.339286 ] [ 0.702528 0.702528 0 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 4.68521241 "source-unit" "angstrom" } "c" { "source-value" 9.22166501 "source-unit" "angstrom" } }