{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.97927 0.25 0.465562 ] [ 0.47927 0.75 0.034438 ] [ 0.52073 0.25 0.965562 ] [ 0.02073 0.75 0.534438 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.340199 0.597944 0.743943 ] [ 0.73011 0.75 0.297725 ] [ 0.159801 0.902056 0.243943 ] [ 0.659801 0.097944 0.256057 ] [ 0.340199 0.902056 0.743943 ] [ 0.840199 0.097944 0.756057 ] [ 0.659801 0.402056 0.256057 ] [ 0.159801 0.597944 0.243943 ] [ 0.76989 0.75 0.797725 ] [ 0.26989 0.25 0.702275 ] [ 0.23011 0.25 0.202275 ] [ 0.840199 0.402056 0.756057 ] [ 0.074611 0.25 0.86411 ] [ 0.425389 0.25 0.36411 ] [ 0.925389 0.75 0.13589 ] [ 0.574611 0.75 0.63589 ] [ 0.368502 0.75 0.354665 ] [ 0.868502 0.25 0.145335 ] [ 0.631498 0.25 0.645335 ] [ 0.131498 0.75 0.854665 ] [ 0.885751 0.532889 0.366085 ] [ 0.385751 0.467111 0.133915 ] [ 0.114249 0.032889 0.633915 ] [ 0.614249 0.967111 0.866085 ] [ 0.114249 0.467111 0.633915 ] [ 0.614249 0.532889 0.866085 ] [ 0.885751 0.967111 0.366085 ] [ 0.385751 0.032889 0.133915 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.44986007 "source-unit" "angstrom" } "b" { "source-value" 11.61040724 "source-unit" "angstrom" } "c" { "source-value" 15.42800886 "source-unit" "angstrom" } }