{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.373365 0.75 ] [ 0 0.626635 0.25 ] [ 0.5 0.873365 0.75 ] [ 0.5 0.126635 0.25 ] [ 0 0.115676 0.25 ] [ 0 0.884324 0.75 ] [ 0.5 0.615676 0.25 ] [ 0.5 0.384324 0.75 ] [ 0.214225 0.920335 0.245847 ] [ 0.785775 0.920335 0.254153 ] [ 0.214225 0.079665 0.745847 ] [ 0.785775 0.079665 0.754153 ] [ 0.714225 0.420335 0.245847 ] [ 0.285775 0.420335 0.254153 ] [ 0.714225 0.579665 0.745847 ] [ 0.285775 0.579665 0.754153 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39618892014 "source-unit" "angstrom" } "b" { "source-value" 7.32299415745 "source-unit" "angstrom" } "c" { "source-value" 5.96858462652 "source-unit" "angstrom" } "beta" { "source-value" 127.147443578 "source-unit" "degree" } }