{ "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" [ [ 0.186662 0.5 0.241228 ] [ 0.813338 0.5 0.758772 ] [ 0.943929 0.5 0.10753 ] [ 0.056071 0.5 0.89247 ] [ 0.102976 0 0.274789 ] [ 0.897024 0 0.725211 ] [ 0.191043 0 0.104911 ] [ 0.808957 0 0.895089 ] [ 0.686662 0 0.241228 ] [ 0.313338 0 0.758772 ] [ 0.443929 0 0.10753 ] [ 0.556071 0 0.89247 ] [ 0.602976 0.5 0.274789 ] [ 0.397024 0.5 0.725211 ] [ 0.691043 0.5 0.104911 ] [ 0.308957 0.5 0.895089 ] [ 0 0.791007 0 ] [ 0 0.208993 0 ] [ 0.5 0.291007 0 ] [ 0.5 0.708993 0 ] [ 0.363027 0 0.468757 ] [ 0.636973 0 0.531243 ] [ 0.891613 0 0.213295 ] [ 0.108387 0 0.786705 ] [ 0.863027 0.5 0.468757 ] [ 0.136973 0.5 0.531243 ] [ 0.391613 0.5 0.213295 ] [ 0.608387 0.5 0.786705 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Ru" "Ru" "Ru" "Ru" "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" 16.8881282925 "source-unit" "angstrom" } "b" { "source-value" 6.87944814406 "source-unit" "angstrom" } "c" { "source-value" 12.4419775789 "source-unit" "angstrom" } "beta" { "source-value" 139.107247548 "source-unit" "degree" } }