{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.480478 0.33278 0.991115 ] [ 0.019522 0.83278 0.008885 ] [ 0.980478 0.16722 0.991115 ] [ 0.519522 0.66722 0.008885 ] [ 0.216916 0.184397 0.750907 ] [ 0.286453 0.507877 0.76393 ] [ 0.229016 0.327428 0.217784 ] [ 0.270984 0.827428 0.782216 ] [ 0.213547 0.007877 0.23607 ] [ 0.716916 0.315603 0.750907 ] [ 0.283084 0.684397 0.249093 ] [ 0.786453 0.992123 0.76393 ] [ 0.729016 0.172572 0.217784 ] [ 0.770984 0.672572 0.782216 ] [ 0.713547 0.492123 0.23607 ] [ 0.783084 0.815603 0.249093 ] ] } "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" 7.42147862 "source-unit" "angstrom" } "b" { "source-value" 12.72940593 "source-unit" "angstrom" } "c" { "source-value" 7.53137956 "source-unit" "angstrom" } "beta" { "source-value" 108.63703226 "source-unit" "degree" } }