{ "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" [ [ 0.063909 0 0.314077 ] [ 0.936091 0 0.814077 ] [ 0.563909 0.5 0.314077 ] [ 0.436091 0.5 0.814077 ] [ 0.239932 0 0.506923 ] [ 0.760068 0 0.006923 ] [ 0.739932 0.5 0.506923 ] [ 0.260068 0.5 0.006923 ] ] } "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" 5.55621706 "source-unit" "angstrom" } "b" { "source-value" 6.93508768 "source-unit" "angstrom" } "c" { "source-value" 5.6436555 "source-unit" "angstrom" } }