{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.215198 0.350839 0.727145 ] [ 0.784802 0.649161 0.272855 ] [ 0.215198 0.149161 0.227145 ] [ 0.784802 0.850839 0.772855 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "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" 4.37091336 "source-unit" "angstrom" } "b" { "source-value" 6.51904739 "source-unit" "angstrom" } "c" { "source-value" 7.72825223 "source-unit" "angstrom" } "beta" { "source-value" 122.52835816 "source-unit" "degree" } }