{ "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 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.228864 0.5 0.261098 ] [ 0.02216 0.757747 0.778732 ] [ 0.225464 0 0.247506 ] [ 0.771136 0.5 0.738902 ] [ 0.02216 0.242253 0.778732 ] [ 0.97784 0.242253 0.221268 ] [ 0.774536 0 0.752494 ] [ 0.97784 0.757747 0.221268 ] [ 0.728864 0 0.261098 ] [ 0.52216 0.257747 0.778732 ] [ 0.725464 0.5 0.247506 ] [ 0.271136 0 0.738902 ] [ 0.52216 0.742253 0.778732 ] [ 0.47784 0.742253 0.221268 ] [ 0.274536 0.5 0.752494 ] [ 0.47784 0.257747 0.221268 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 10.87810893 "source-unit" "angstrom" } "b" { "source-value" 5.77186824 "source-unit" "angstrom" } "c" { "source-value" 5.80418242 "source-unit" "angstrom" } "beta" { "source-value" 120.82186951 "source-unit" "degree" } }