{ "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 0.739403 0.75 ] [ 0 0.260597 0.25 ] [ 0.5 0.239403 0.75 ] [ 0.5 0.760597 0.25 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.596382 0.090914 0.463384 ] [ 0.903618 0.590914 0.036616 ] [ 0.903618 0.409086 0.536616 ] [ 0.596382 0.909086 0.963384 ] [ 0.684911 0.466973 0.18837 ] [ 0.815089 0.966973 0.31163 ] [ 0.815089 0.033027 0.81163 ] [ 0.684911 0.533027 0.68837 ] [ 0.096382 0.590914 0.463384 ] [ 0.403618 0.090914 0.036616 ] [ 0.403618 0.909086 0.536616 ] [ 0.096382 0.409086 0.963384 ] [ 0.184911 0.966973 0.18837 ] [ 0.315089 0.466973 0.31163 ] [ 0.315089 0.533027 0.81163 ] [ 0.184911 0.033027 0.68837 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "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" 12.134615258 "source-unit" "angstrom" } "b" { "source-value" 4.98757218482 "source-unit" "angstrom" } "c" { "source-value" 5.60701712244 "source-unit" "angstrom" } "beta" { "source-value" 104.490022188 "source-unit" "degree" } }