{ "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 0.831029 0 ] [ 0 0.168971 0 ] [ 0.5 0.331029 0 ] [ 0.5 0.668971 0 ] [ 0.228201 0.183867 0.754861 ] [ 0.771799 0.183867 0.245139 ] [ 0.228201 0.816133 0.754861 ] [ 0.771799 0.816133 0.245139 ] [ 0.770373 0 0.77955 ] [ 0.229627 0 0.22045 ] [ 0.728201 0.683867 0.754861 ] [ 0.271799 0.683867 0.245139 ] [ 0.728201 0.316133 0.754861 ] [ 0.271799 0.316133 0.245139 ] [ 0.270373 0.5 0.77955 ] [ 0.729627 0.5 0.22045 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "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" 7.43353723688 "source-unit" "angstrom" } "b" { "source-value" 12.7387057527 "source-unit" "angstrom" } "c" { "source-value" 7.52891753085 "source-unit" "angstrom" } "beta" { "source-value" 109.657248165 "source-unit" "degree" } }