{ "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" [ [ 0.77869 0 0.885859 ] [ 0.22131 0 0.114141 ] [ 0.27869 0.5 0.885859 ] [ 0.72131 0.5 0.114141 ] [ 0.362311 0 0.731774 ] [ 0.637689 0 0.268226 ] [ 0.862311 0.5 0.731774 ] [ 0.137689 0.5 0.268226 ] [ 0.989223 0 0.23328 ] [ 0.010777 0 0.76672 ] [ 0.489223 0.5 0.23328 ] [ 0.510777 0.5 0.76672 ] [ 0.706193 0 0.532358 ] [ 0.30174 0.188844 0.846742 ] [ 0.293807 0 0.467642 ] [ 0.69826 0.811156 0.153258 ] [ 0.69826 0.188844 0.153258 ] [ 0.458893 0 0.20353 ] [ 0.30174 0.811156 0.846742 ] [ 0.541107 0 0.79647 ] [ 0.206193 0.5 0.532358 ] [ 0.80174 0.688844 0.846742 ] [ 0.793807 0.5 0.467642 ] [ 0.19826 0.311156 0.153258 ] [ 0.19826 0.688844 0.153258 ] [ 0.958893 0.5 0.20353 ] [ 0.80174 0.311156 0.846742 ] [ 0.041107 0.5 0.79647 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "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" 10.4062980731 "source-unit" "angstrom" } "b" { "source-value" 7.42370840412 "source-unit" "angstrom" } "c" { "source-value" 6.98552620008 "source-unit" "angstrom" } "beta" { "source-value" 107.128832036 "source-unit" "degree" } }