{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.303637 0.376872 0.077709 ] [ 0.803637 0.623128 0.422291 ] [ 0.696363 0.123128 0.577709 ] [ 0.196363 0.876872 0.922291 ] [ 0.006134 0.004833 0.00201 ] [ 0.493866 0.504833 0.99799 ] [ 0.506134 0.995167 0.49799 ] [ 0.993866 0.495167 0.50201 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "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" 5.84756942 "source-unit" "angstrom" } "b" { "source-value" 6.03270165 "source-unit" "angstrom" } "c" { "source-value" 6.25417238 "source-unit" "angstrom" } }