{ "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 0.129965 0.25 ] [ 0 0.870035 0.75 ] [ 0.5 0.629965 0.25 ] [ 0.5 0.370035 0.75 ] [ 0.195665 0.880695 0.136988 ] [ 0.195665 0.119305 0.636988 ] [ 0.804335 0.880695 0.363012 ] [ 0.804335 0.119305 0.863012 ] [ 0.695665 0.380695 0.136988 ] [ 0.695665 0.619305 0.636988 ] [ 0.304335 0.380695 0.363012 ] [ 0.304335 0.619305 0.863012 ] ] } "species" { "source-value" [ "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" 6.08297143 "source-unit" "angstrom" } "b" { "source-value" 6.06450707 "source-unit" "angstrom" } "c" { "source-value" 6.60244187 "source-unit" "angstrom" } "beta" { "source-value" 116.22361525 "source-unit" "degree" } }