{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.24814 0.125153 0.255988 ] [ 0.75186 0.874847 0.744012 ] [ 0.25186 0.625153 0.244012 ] [ 0.74814 0.374847 0.755988 ] [ 0.340569 0.627022 0.769594 ] [ 0.840569 0.872978 0.269594 ] [ 0.659431 0.372978 0.230406 ] [ 0.159431 0.127022 0.730406 ] [ 0.466271 0.37325 0.287375 ] [ 0.343353 0.12512 0.68364 ] [ 0.156647 0.62512 0.81636 ] [ 0.533729 0.62675 0.712625 ] [ 0.656647 0.87488 0.31636 ] [ 0.966271 0.12675 0.787375 ] [ 0.033729 0.87325 0.212625 ] [ 0.843353 0.37488 0.18364 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.57972911091 "source-unit" "angstrom" } "b" { "source-value" 7.12657097 "source-unit" "angstrom" } "c" { "source-value" 7.22494159541 "source-unit" "angstrom" } "beta" { "source-value" 112.143621892 "source-unit" "degree" } }