{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.627865 0 0.345103 ] [ 0.372135 0 0.654897 ] [ 0 0.196573 0.5 ] [ 0 0.803427 0.5 ] [ 0 0.259933 0 ] [ 0 0.740067 0 ] [ 0.127865 0.5 0.345103 ] [ 0.872135 0.5 0.654897 ] [ 0.5 0.696573 0.5 ] [ 0.5 0.303427 0.5 ] [ 0.5 0.759933 0 ] [ 0.5 0.240067 0 ] [ 0.164063 0 0.149032 ] [ 0.835937 0 0.850968 ] [ 0.664063 0.5 0.149032 ] [ 0.335937 0.5 0.850968 ] [ 0.099137 0 0.857841 ] [ 0.900863 0 0.142159 ] [ 0.283148 0.131207 0.265601 ] [ 0.716852 0.131207 0.734399 ] [ 0.716852 0.868793 0.734399 ] [ 0.283148 0.868793 0.265601 ] [ 0.599137 0.5 0.857841 ] [ 0.400863 0.5 0.142159 ] [ 0.783148 0.631207 0.265601 ] [ 0.216852 0.631207 0.734399 ] [ 0.216852 0.368793 0.734399 ] [ 0.783148 0.368793 0.265601 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.47600564912 "source-unit" "angstrom" } "b" { "source-value" 11.7158355354 "source-unit" "angstrom" } "c" { "source-value" 6.92692879322 "source-unit" "angstrom" } "beta" { "source-value" 103.476867003 "source-unit" "degree" } }