{ "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" [ [ 0.423243 0.135987 0.761363 ] [ 0.576757 0.635987 0.738637 ] [ 0.576757 0.864013 0.238637 ] [ 0.423243 0.364013 0.261363 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.779513 0.374135 0.039186 ] [ 0.220487 0.874135 0.460814 ] [ 0.779513 0.125865 0.539186 ] [ 0.220487 0.625865 0.960814 ] [ 0.324964 0.396088 0.560429 ] [ 0.675036 0.896088 0.939571 ] [ 0.675036 0.603912 0.439571 ] [ 0.324964 0.103912 0.060429 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" "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" 6.48583804144 "source-unit" "angstrom" } "b" { "source-value" 7.1040848 "source-unit" "angstrom" } "c" { "source-value" 6.95787140701 "source-unit" "angstrom" } "beta" { "source-value" 113.748509118 "source-unit" "degree" } }