{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.823648 0.7538 0.5 ] [ 0.176352 0.2538 0 ] [ 0.319025 0.23936 0.5 ] [ 0.680975 0.73936 0 ] [ 0.81958 0.609778 0.822828 ] [ 0.18042 0.109778 0.677172 ] [ 0.18042 0.109778 0.322828 ] [ 0.81958 0.609778 0.177172 ] [ 0.385189 0.680296 0 ] [ 0.614811 0.180296 0.5 ] [ 0.714684 0.034887 0 ] [ 0.285316 0.534887 0.5 ] ] } "species" { "source-value" [ "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" 4.92999414 "source-unit" "angstrom" } "b" { "source-value" 4.98348535 "source-unit" "angstrom" } "c" { "source-value" 6.66510994 "source-unit" "angstrom" } }