{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.400084 0.25 0.822931 ] [ 0.872195 0.25 0.056428 ] [ 0.599916 0.75 0.177069 ] [ 0.127805 0.75 0.943572 ] [ 0.592639 0.75 0.631773 ] [ 0.884054 0.25 0.527589 ] [ 0.115946 0.75 0.472411 ] [ 0.407361 0.25 0.368227 ] [ 0.30743 0.25 0.11811 ] [ 0.69257 0.75 0.88189 ] [ 0.580119 0.25 0.607624 ] [ 0.162343 0.25 0.467399 ] [ 0.981064 0.75 0.233855 ] [ 0.837657 0.75 0.532601 ] [ 0.018936 0.25 0.766145 ] [ 0.419881 0.75 0.392376 ] [ 0.276802 0.75 0.706833 ] [ 0.723198 0.25 0.293167 ] [ 0.852476 0.75 0.919392 ] [ 0.640175 0.549455 0.931403 ] [ 0.147524 0.25 0.080608 ] [ 0.359825 0.450545 0.068597 ] [ 0.359825 0.049455 0.068597 ] [ 0.640175 0.950545 0.931403 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Hg" "Hg" "Hg" "Hg" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 9.7988493189 "source-unit" "angstrom" } "b" { "source-value" 6.11676146 "source-unit" "angstrom" } "c" { "source-value" 10.4289675842 "source-unit" "angstrom" } "beta" { "source-value" 110.478618129 "source-unit" "degree" } }