{ "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 0 0.5 ] [ 0 0 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0 0.374739 0.25 ] [ 0 0.625261 0.75 ] [ 0.5 0.874739 0.25 ] [ 0.5 0.125261 0.75 ] [ 0 0.19491 0.25 ] [ 0.678948 0.874635 0.247429 ] [ 0.655333 0.874111 0.562976 ] [ 0.655333 0.125889 0.062976 ] [ 0 0.554633 0.25 ] [ 0.321052 0.874635 0.252571 ] [ 0.678948 0.125365 0.747429 ] [ 0 0.445367 0.75 ] [ 0.344667 0.874111 0.937024 ] [ 0.344667 0.125889 0.437024 ] [ 0.321052 0.125365 0.752571 ] [ 0 0.80509 0.75 ] [ 0.5 0.69491 0.25 ] [ 0.178948 0.374635 0.247429 ] [ 0.155333 0.374111 0.562976 ] [ 0.155333 0.625889 0.062976 ] [ 0.5 0.054633 0.25 ] [ 0.821052 0.374635 0.252571 ] [ 0.178948 0.625365 0.747429 ] [ 0.5 0.945367 0.75 ] [ 0.844667 0.374111 0.937024 ] [ 0.844667 0.625889 0.437024 ] [ 0.821052 0.625365 0.752571 ] [ 0.5 0.30509 0.75 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.67943829 "source-unit" "angstrom" } "b" { "source-value" 10.69735456 "source-unit" "angstrom" } "c" { "source-value" 8.00209512 "source-unit" "angstrom" } "beta" { "source-value" 130.01317738 "source-unit" "degree" } }