{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.760518 0.5 0.223901 ] [ 0.239482 0.5 0.776099 ] [ 0.260518 0 0.223901 ] [ 0.739482 0 0.776099 ] [ 0.127239 0 0.321088 ] [ 0.872761 0 0.678912 ] [ 0.627239 0.5 0.321088 ] [ 0.372761 0.5 0.678912 ] [ 0.85795 0.5 0.161219 ] [ 0.14205 0.5 0.838781 ] [ 0.35795 0 0.161219 ] [ 0.64205 0 0.838781 ] ] } "species" { "source-value" [ "Hg" "Hg" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.06514727 "source-unit" "angstrom" } "b" { "source-value" 4.11446681 "source-unit" "angstrom" } "c" { "source-value" 6.5723456 "source-unit" "angstrom" } "beta" { "source-value" 94.26077591 "source-unit" "degree" } }