{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.666421 0.500133 ] [ 0 0.333579 0.000133 ] [ 0.5 0.166421 0.500133 ] [ 0.5 0.833579 0.000133 ] [ 0 0.599914 0.125666 ] [ 0 0.400086 0.625666 ] [ 0 0.067618 0.8742 ] [ 0 0.932382 0.3742 ] [ 0.5 0.099914 0.125666 ] [ 0.5 0.900086 0.625666 ] [ 0.5 0.567618 0.8742 ] [ 0.5 0.432382 0.3742 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02544589943 "source-unit" "angstrom" } "b" { "source-value" 6.99993229722 "source-unit" "angstrom" } "c" { "source-value" 13.08790883 "source-unit" "angstrom" } }