{ "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" [ [ 0.142091 0 0.590649 ] [ 0.857909 0 0.409351 ] [ 0 0 0 ] [ 0.642091 0.5 0.590649 ] [ 0.357909 0.5 0.409351 ] [ 0.5 0.5 0 ] [ 0.168131 0.5 0.971659 ] [ 0.831869 0.5 0.028341 ] [ 0.668131 0 0.971659 ] [ 0.331869 0 0.028341 ] [ 0.002123 0.5 0.685499 ] [ 0.207552 0 0.197361 ] [ 0.997877 0.5 0.314501 ] [ 0.792448 0 0.802639 ] [ 0.502123 0 0.685499 ] [ 0.707552 0.5 0.197361 ] [ 0.497877 0 0.314501 ] [ 0.292448 0.5 0.802639 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Cd" "Cd" "Cd" "Cd" "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" 18.1573032146 "source-unit" "angstrom" } "b" { "source-value" 4.93841117677 "source-unit" "angstrom" } "c" { "source-value" 7.82919627119 "source-unit" "angstrom" } "beta" { "source-value" 112.064386061 "source-unit" "degree" } }