{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.568824 0.174361 ] [ 0.25 0.431176 0.825639 ] [ 0.75 0.068824 0.325639 ] [ 0.25 0.931176 0.674361 ] [ 0.75 0.835707 0.94389 ] [ 0.25 0.164293 0.05611 ] [ 0.75 0.335707 0.55611 ] [ 0.25 0.664293 0.44389 ] [ 0.75 0.717819 0.791957 ] [ 0.25 0.282181 0.208043 ] [ 0.75 0.217819 0.708043 ] [ 0.25 0.782181 0.291957 ] [ 0.75 0.829892 0.504645 ] [ 0.25 0.170108 0.495355 ] [ 0.75 0.329892 0.995355 ] [ 0.25 0.670108 0.004645 ] [ 0.75 0.973989 0.099319 ] [ 0.25 0.026011 0.900681 ] [ 0.75 0.473989 0.400681 ] [ 0.25 0.526011 0.599319 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.32656498 "source-unit" "angstrom" } "b" { "source-value" 9.64930184 "source-unit" "angstrom" } "c" { "source-value" 16.0606363 "source-unit" "angstrom" } }