{ "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" [ [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0 0.819301 0.75 ] [ 0 0.180699 0.25 ] [ 0.5 0.319301 0.75 ] [ 0.5 0.680699 0.25 ] [ 0.883165 0.359213 0.024256 ] [ 0.116835 0.359213 0.475744 ] [ 0.116835 0.640787 0.975744 ] [ 0.883165 0.640787 0.524256 ] [ 0.904688 0.907767 0.972889 ] [ 0.095312 0.907767 0.527111 ] [ 0.095312 0.092233 0.027111 ] [ 0.904688 0.092233 0.472889 ] [ 0.383165 0.859213 0.024256 ] [ 0.616835 0.859213 0.475744 ] [ 0.616835 0.140787 0.975744 ] [ 0.383165 0.140787 0.524256 ] [ 0.404688 0.407767 0.972889 ] [ 0.595312 0.407767 0.527111 ] [ 0.595312 0.592233 0.027111 ] [ 0.404688 0.592233 0.472889 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "W" "W" "W" "W" "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" 11.6103414055 "source-unit" "angstrom" } "b" { "source-value" 6.21695720379 "source-unit" "angstrom" } "c" { "source-value" 5.2740994951 "source-unit" "angstrom" } "beta" { "source-value" 113.727571765 "source-unit" "degree" } }