{ "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" [ [ 0.15841 0.5 0.314082 ] [ 0.84159 0.5 0.685918 ] [ 0.089878 0 0.794761 ] [ 0.910122 0 0.205239 ] [ 0.65841 0 0.314082 ] [ 0.34159 0 0.685918 ] [ 0.589878 0.5 0.794761 ] [ 0.410122 0.5 0.205239 ] [ 0.995897 0.5 0.256491 ] [ 0.004103 0.5 0.743509 ] [ 0.173598 0 0.564294 ] [ 0.826402 0 0.435706 ] [ 0.836497 0 0.891047 ] [ 0.163503 0 0.108953 ] [ 0.495897 0 0.256491 ] [ 0.504103 0 0.743509 ] [ 0.673598 0.5 0.564294 ] [ 0.326402 0.5 0.435706 ] [ 0.336497 0.5 0.891047 ] [ 0.663503 0.5 0.108953 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "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" 12.4524464 "source-unit" "angstrom" } "b" { "source-value" 3.08296874 "source-unit" "angstrom" } "c" { "source-value" 5.87615337 "source-unit" "angstrom" } "beta" { "source-value" 103.68360198 "source-unit" "degree" } }