{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.033567 0 0.002202 ] [ 0.267448 0.5 0.258376 ] [ 0.533567 0.5 0.002202 ] [ 0.767448 0 0.258376 ] [ 0.564308 0 0.504804 ] [ 0.775483 0.5 0.761602 ] [ 0.064308 0.5 0.504804 ] [ 0.275483 0 0.761602 ] [ 0.067989 0 0.179452 ] [ 0.591001 0.5 0.592159 ] [ 0.068082 0 0.403211 ] [ 0.292584 0.5 0.45471 ] [ 0.908939 0 0.82215 ] [ 0.780065 0 0.638482 ] [ 0.051158 0.5 0.746731 ] [ 0.810375 0.5 0.925122 ] [ 0.567989 0.5 0.179452 ] [ 0.091001 0 0.592159 ] [ 0.568082 0.5 0.403211 ] [ 0.792584 0 0.45471 ] [ 0.408939 0.5 0.82215 ] [ 0.280065 0.5 0.638482 ] [ 0.551158 0 0.746731 ] [ 0.310375 0 0.925122 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Bi" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.00032098 "source-unit" "angstrom" } "b" { "source-value" 3.96316862 "source-unit" "angstrom" } "c" { "source-value" 14.44960454 "source-unit" "angstrom" } "beta" { "source-value" 104.36350256 "source-unit" "degree" } }