{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.178298 0.100144 0.364063 ] [ 0.821702 0.899856 0.635937 ] [ 0.117911 0.553882 0.172106 ] [ 0.882089 0.446118 0.827894 ] [ 0.27191 0.639796 0.525564 ] [ 0.72809 0.360204 0.474436 ] [ 0.358668 0.145102 0.724288 ] [ 0.641332 0.854898 0.275712 ] [ 0.472007 0.735907 0.91811 ] [ 0.527993 0.264093 0.08189 ] [ 0.138012 0.653696 0.959924 ] [ 0.861988 0.346304 0.040076 ] [ 0.034235 0.160326 0.799883 ] [ 0.965765 0.839674 0.200117 ] [ 0.044724 0.432578 0.370272 ] [ 0.955276 0.567422 0.629728 ] [ 0.152402 0.942425 0.564639 ] [ 0.847598 0.057575 0.435361 ] [ 0.339866 0.034042 0.930775 ] [ 0.660134 0.965958 0.069225 ] [ 0.197958 0.222996 0.154051 ] [ 0.802042 0.777004 0.845949 ] [ 0.309896 0.799353 0.335676 ] [ 0.690104 0.200647 0.664324 ] [ 0.362349 0.329965 0.540845 ] [ 0.637651 0.670035 0.459155 ] [ 0.459597 0.818202 0.701835 ] [ 0.540403 0.181798 0.298165 ] [ 0.466061 0.590022 0.126893 ] [ 0.533939 0.409978 0.873107 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "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" 6.7643197427 "source-unit" "angstrom" } "b" { "source-value" 6.77660898332 "source-unit" "angstrom" } "c" { "source-value" 10.2820498441 "source-unit" "angstrom" } "alpha" { "source-value" 96.122453344 "source-unit" "degree" } "beta" { "source-value" 90.1761488696 "source-unit" "degree" } "gamma" { "source-value" 99.7203815054 "source-unit" "degree" } }