{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.811723 0.5 0.61219 ] [ 0.188277 0.5 0.38781 ] [ 0.822243 0 0.110825 ] [ 0.177757 0 0.889175 ] [ 0.311723 0 0.61219 ] [ 0.688277 0 0.38781 ] [ 0.322243 0.5 0.110825 ] [ 0.677757 0.5 0.889175 ] [ 0.893509 0.5 0.928178 ] [ 0.106491 0.5 0.071822 ] [ 0.053631 0 0.272581 ] [ 0.946369 0 0.727419 ] [ 0.867034 0.5 0.339968 ] [ 0.132966 0.5 0.660032 ] [ 0.393509 0 0.928178 ] [ 0.606491 0 0.071822 ] [ 0.553631 0.5 0.272581 ] [ 0.446369 0.5 0.727419 ] [ 0.367034 0 0.339968 ] [ 0.632966 0 0.660032 ] [ 0.192315 0 0.185962 ] [ 0.807685 0 0.814038 ] [ 0.033128 0.5 0.815289 ] [ 0.966872 0.5 0.184711 ] [ 0.913088 0 0.4721 ] [ 0.086912 0 0.5279 ] [ 0.692315 0.5 0.185962 ] [ 0.307685 0.5 0.814038 ] [ 0.533128 0 0.815289 ] [ 0.466872 0 0.184711 ] [ 0.413088 0.5 0.4721 ] [ 0.586912 0.5 0.5279 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.5958256909 "source-unit" "angstrom" } "b" { "source-value" 4.98288302 "source-unit" "angstrom" } "c" { "source-value" 12.1285841625 "source-unit" "angstrom" } "beta" { "source-value" 111.995899287 "source-unit" "degree" } }