{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.191283 0.071271 0.473196 ] [ 0.808717 0.071271 0.026804 ] [ 0.808717 0.928729 0.526804 ] [ 0.191283 0.928729 0.973196 ] [ 0.5 0.428136 0.25 ] [ 0.5 0.571864 0.75 ] [ 0.505444 0.768311 0.608414 ] [ 0.494556 0.768311 0.891586 ] [ 0.494556 0.231689 0.391586 ] [ 0.505444 0.231689 0.108414 ] [ 0.696183 0.404972 0.763777 ] [ 0.303817 0.404972 0.736223 ] [ 0.696183 0.595028 0.263777 ] [ 0.303817 0.595028 0.236223 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "S" "S" "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" 6.34795929 "source-unit" "angstrom" } "b" { "source-value" 4.65612562 "source-unit" "angstrom" } "c" { "source-value" 8.68497515 "source-unit" "angstrom" } "beta" { "source-value" 92.76127193 "source-unit" "degree" } }