{ "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" [ [ 0.074161 0.167342 0.777339 ] [ 0.925839 0.167342 0.722661 ] [ 0.925839 0.832658 0.222661 ] [ 0.074161 0.832658 0.277339 ] [ 0.75481 0.903267 0.786838 ] [ 0.24519 0.903267 0.713162 ] [ 0.24519 0.096733 0.213162 ] [ 0.75481 0.096733 0.286838 ] [ 0.574161 0.667342 0.777339 ] [ 0.425839 0.667342 0.722661 ] [ 0.425839 0.332658 0.222661 ] [ 0.574161 0.332658 0.277339 ] [ 0.25481 0.403267 0.786838 ] [ 0.74519 0.403267 0.713162 ] [ 0.74519 0.596733 0.213162 ] [ 0.25481 0.596733 0.286838 ] [ 0.88469 0.667493 0.676826 ] [ 0.11531 0.667493 0.823174 ] [ 0.11531 0.332507 0.323174 ] [ 0.88469 0.332507 0.176826 ] [ 0.38469 0.167493 0.676826 ] [ 0.61531 0.167493 0.823174 ] [ 0.61531 0.832507 0.323174 ] [ 0.38469 0.832507 0.176826 ] [ 0.197072 0.14375 0.84107 ] [ 0.802928 0.14375 0.65893 ] [ 0.802928 0.85625 0.15893 ] [ 0.197072 0.85625 0.34107 ] [ 0.697072 0.64375 0.84107 ] [ 0.302928 0.64375 0.65893 ] [ 0.302928 0.35625 0.15893 ] [ 0.697072 0.35625 0.34107 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "I" "I" "I" "I" "I" "I" "I" "I" "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" 17.9561832575 "source-unit" "angstrom" } "b" { "source-value" 7.16793037168 "source-unit" "angstrom" } "c" { "source-value" 7.01896502442 "source-unit" "angstrom" } "beta" { "source-value" 100.68885475 "source-unit" "degree" } }