{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.834694 0 0.611103 ] [ 0.164315 0 0.388953 ] [ 0.908074 0.5 0.864055 ] [ 0.090538 0.5 0.138022 ] [ 0.21433 0 0.129988 ] [ 0.783776 0 0.868439 ] [ 0.334694 0.5 0.611103 ] [ 0.664315 0.5 0.388953 ] [ 0.408074 0 0.864055 ] [ 0.590538 0 0.138022 ] [ 0.71433 0.5 0.129988 ] [ 0.283776 0.5 0.868439 ] [ 0.932022 0 0.300499 ] [ 0.064003 0 0.696002 ] [ 0.432022 0.5 0.300499 ] [ 0.564003 0.5 0.696002 ] [ 0.835096 0.5 0.056765 ] [ 0.163561 0.5 0.942475 ] [ 0.998794 0 0.003071 ] [ 0.239371 0 0.661056 ] [ 0.923841 0.5 0.596865 ] [ 0.075144 0.5 0.404215 ] [ 0.758169 0 0.338758 ] [ 0.335096 0 0.056765 ] [ 0.663561 0 0.942475 ] [ 0.498794 0.5 0.003071 ] [ 0.739371 0.5 0.661056 ] [ 0.423841 0 0.596865 ] [ 0.575144 0 0.404215 ] [ 0.258169 0.5 0.338758 ] [ 0.861729 0 0.805178 ] [ 0.136818 0 0.194582 ] [ 0.361729 0.5 0.805178 ] [ 0.636818 0.5 0.194582 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Cs" "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 24.2878154034 "source-unit" "angstrom" } "b" { "source-value" 4.22321453312 "source-unit" "angstrom" } "c" { "source-value" 11.5359320977 "source-unit" "angstrom" } "beta" { "source-value" 103.706849192 "source-unit" "degree" } }