{ "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" [ [ 0.273625 0.136086 0.329095 ] [ 0.726375 0.136086 0.170905 ] [ 0.273625 0.863914 0.829095 ] [ 0.726375 0.863914 0.670905 ] [ 0.773625 0.636086 0.329095 ] [ 0.226375 0.636086 0.170905 ] [ 0.773625 0.363914 0.829095 ] [ 0.226375 0.363914 0.670905 ] [ 0.11564 0.057169 0.973135 ] [ 0.88436 0.057169 0.526865 ] [ 0.88436 0.942831 0.026865 ] [ 0 0.807474 0.25 ] [ 0 0.192526 0.75 ] [ 0.11564 0.942831 0.473135 ] [ 0.61564 0.557169 0.973135 ] [ 0.38436 0.557169 0.526865 ] [ 0.38436 0.442831 0.026865 ] [ 0.5 0.307474 0.25 ] [ 0.5 0.692526 0.75 ] [ 0.61564 0.442831 0.473135 ] [ 0 0.372629 0.25 ] [ 0 0.627371 0.75 ] [ 0.5 0.872629 0.25 ] [ 0.5 0.127371 0.75 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.01460718246 "source-unit" "angstrom" } "b" { "source-value" 8.97275202499 "source-unit" "angstrom" } "c" { "source-value" 7.77996251748 "source-unit" "angstrom" } "beta" { "source-value" 97.7277041713 "source-unit" "degree" } }