{ "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" [ [ 0.970658 0.184136 0.835052 ] [ 0.029342 0.684136 0.664948 ] [ 0.029342 0.815864 0.164948 ] [ 0.970658 0.315864 0.335052 ] [ 0.683478 0.249172 0.03894 ] [ 0.316522 0.749172 0.46106 ] [ 0.316522 0.750828 0.96106 ] [ 0.212519 0.408015 0.168144 ] [ 0.212519 0.091985 0.668144 ] [ 0.683478 0.250828 0.53894 ] [ 0.787481 0.591985 0.831856 ] [ 0.796647 0.940651 0.811073 ] [ 0.203353 0.440651 0.688927 ] [ 0.796647 0.559349 0.311073 ] [ 0.787481 0.908015 0.331856 ] [ 0.203353 0.059349 0.188927 ] ] } "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" 7.29069215774 "source-unit" "angstrom" } "b" { "source-value" 10.24432719 "source-unit" "angstrom" } "c" { "source-value" 8.26833008531 "source-unit" "angstrom" } "beta" { "source-value" 108.221438384 "source-unit" "degree" } }