{ "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" [ [ 0.006737 0.108014 0.679342 ] [ 0.993263 0.608014 0.820658 ] [ 0.993263 0.891986 0.320658 ] [ 0.006737 0.391986 0.179342 ] [ 0.47114 0.765489 0.57585 ] [ 0.52886 0.265489 0.92415 ] [ 0.52886 0.234511 0.42415 ] [ 0.47114 0.734511 0.07585 ] [ 0.455034 0.096174 0.169281 ] [ 0.544966 0.596174 0.330719 ] [ 0.544966 0.903826 0.830719 ] [ 0.455034 0.403826 0.669281 ] [ 0.733799 0.103184 0.18951 ] [ 0.266201 0.603184 0.31049 ] [ 0.266201 0.896816 0.81049 ] [ 0.733799 0.396816 0.68951 ] [ 0.338852 0.214354 0.064026 ] [ 0.661148 0.714354 0.435974 ] [ 0.661148 0.785646 0.935974 ] [ 0.338852 0.285646 0.564026 ] [ 0.297503 0.160027 0.295625 ] [ 0.702497 0.660027 0.204375 ] [ 0.702497 0.839973 0.704375 ] [ 0.297503 0.339973 0.795625 ] [ 0.777823 0.089046 0.472408 ] [ 0.222177 0.589046 0.027592 ] [ 0.222177 0.910954 0.527592 ] [ 0.777823 0.410954 0.972408 ] [ 0.671127 0.078958 0.849956 ] [ 0.328873 0.578958 0.650044 ] [ 0.328873 0.921042 0.150044 ] [ 0.671127 0.421042 0.349956 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Ge" "Ge" "Ge" "Ge" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.01000454157 "source-unit" "angstrom" } "b" { "source-value" 7.68111 "source-unit" "angstrom" } "c" { "source-value" 10.1434061805 "source-unit" "angstrom" } "beta" { "source-value" 91.9407483142 "source-unit" "degree" } }