{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.020868 0 ] [ 0.5 0.520868 0 ] [ 0 0.287257 0.5 ] [ 0.7499 0.948404 0.304935 ] [ 0.2501 0.948404 0.695065 ] [ 0.5 0.787257 0.5 ] [ 0.2499 0.448404 0.304935 ] [ 0.7501 0.448404 0.695065 ] [ 0.713772 0.811615 0.121963 ] [ 0.352149 0.949495 0.549197 ] [ 0.647851 0.949495 0.450803 ] [ 0.908365 0.116033 0.31952 ] [ 0.091635 0.116033 0.68048 ] [ 0.286228 0.811615 0.878037 ] [ 0.213772 0.311615 0.121963 ] [ 0.852149 0.449495 0.549197 ] [ 0.147851 0.449495 0.450803 ] [ 0.408365 0.616033 0.31952 ] [ 0.591635 0.616033 0.68048 ] [ 0.786228 0.311615 0.878037 ] ] } "species" { "source-value" [ "Bi" "Bi" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 7.11781965135 "source-unit" "angstrom" } "b" { "source-value" 5.22270326 "source-unit" "angstrom" } "c" { "source-value" 6.65201702236 "source-unit" "angstrom" } "beta" { "source-value" 104.099434233 "source-unit" "degree" } }