{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.70981 0.25 0.960288 ] [ 0.289647 0.75 0.61663 ] [ 0.710353 0.25 0.38337 ] [ 0.29019 0.75 0.039712 ] [ 0.827113 0.75 0.197412 ] [ 0.172887 0.25 0.802588 ] [ 0.820831 0.75 0.699755 ] [ 0.179169 0.25 0.300245 ] [ 0.684152 0.75 0.166544 ] [ 0.315848 0.25 0.833456 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "H" "H" "Br" "Br" "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" 7.13698869364 "source-unit" "angstrom" } "b" { "source-value" 4.54254383 "source-unit" "angstrom" } "c" { "source-value" 9.05103114615 "source-unit" "angstrom" } "beta" { "source-value" 107.080848853 "source-unit" "degree" } }