{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.81618 0.369224 0.25 ] [ 0.81618 0.630776 0.75 ] [ 0.18382 0.630776 0.75 ] [ 0.18382 0.369224 0.25 ] [ 0 0.247658 0.25 ] [ 0 0.752342 0.75 ] [ 0.5 0.723882 0.25 ] [ 0.5 0.276118 0.75 ] ] } "species" { "source-value" [ "Hg" "Hg" "H" "H" "H" "H" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.49075558 "source-unit" "angstrom" } "b" { "source-value" 5.10416018 "source-unit" "angstrom" } "c" { "source-value" 6.81105339 "source-unit" "angstrom" } }