{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.849116 0.963771 0.51803 ] [ 0.137096 0.375986 0.867089 ] [ 0.150884 0.963771 0.48197 ] [ 0.862904 0.375986 0.132911 ] [ 0.349116 0.463771 0.51803 ] [ 0.637096 0.875986 0.867089 ] [ 0.650884 0.463771 0.48197 ] [ 0.362904 0.875986 0.132911 ] [ 0 0.742927 0 ] [ 0.5 0.242927 0 ] [ 0.9164 0.885533 0.080909 ] [ 0.0836 0.885533 0.919091 ] [ 0.910027 0.594577 0.785742 ] [ 0.089973 0.594577 0.214258 ] [ 0.4164 0.385533 0.080909 ] [ 0.5836 0.385533 0.919091 ] [ 0.410027 0.094577 0.785742 ] [ 0.589973 0.094577 0.214258 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "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" 10.8110295156 "source-unit" "angstrom" } "b" { "source-value" 5.70630371808 "source-unit" "angstrom" } "c" { "source-value" 5.67910044836 "source-unit" "angstrom" } "beta" { "source-value" 115.575606869 "source-unit" "degree" } }