{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.25 0.990791 0.625 ] [ 0.25 0.509209 0.125 ] [ 0.009209 0.25 0.375 ] [ 0.990791 0.75 0.375 ] [ 0.75 0.490791 0.125 ] [ 0.75 0.009209 0.625 ] [ 0.509209 0.75 0.875 ] [ 0.490791 0.25 0.875 ] [ 0.811158 0.029886 0.312993 ] [ 0.529886 0.811158 0.562993 ] [ 0.688842 0.029886 0.937007 ] [ 0.970114 0.688842 0.062993 ] [ 0.029886 0.188842 0.687007 ] [ 0.188842 0.970114 0.312993 ] [ 0.970114 0.811158 0.687007 ] [ 0.811158 0.470114 0.437007 ] [ 0.311158 0.529886 0.812993 ] [ 0.029886 0.311158 0.062993 ] [ 0.188842 0.529886 0.437007 ] [ 0.470114 0.188842 0.562993 ] [ 0.529886 0.688842 0.187007 ] [ 0.688842 0.470114 0.812993 ] [ 0.470114 0.311158 0.187007 ] [ 0.311158 0.970114 0.937007 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 9.87907308 "source-unit" "angstrom" } "c" { "source-value" 9.66696186 "source-unit" "angstrom" } }