{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.952044 0.9304 0.670369 ] [ 0.952044 0.5696 0.670369 ] [ 0.047956 0.4304 0.329631 ] [ 0.047956 0.0696 0.329631 ] [ 0.66844 0.75 0.187351 ] [ 0.612241 0.25 0.537631 ] [ 0.471838 0.25 0.148536 ] [ 0.528162 0.75 0.851464 ] [ 0.387759 0.75 0.462369 ] [ 0.33156 0.25 0.812649 ] [ 0.829575 0.902158 0.210603 ] [ 0.829575 0.597842 0.210603 ] [ 0.782435 0.25 0.234223 ] [ 0.777355 0.40232 0.509868 ] [ 0.777355 0.09768 0.509868 ] [ 0.697534 0.75 0.547593 ] [ 0.691108 0.900294 0.821232 ] [ 0.691108 0.599706 0.821232 ] [ 0.476971 0.75 0.024788 ] [ 0.593258 0.25 0.714558 ] [ 0.406742 0.75 0.285442 ] [ 0.523029 0.25 0.975212 ] [ 0.308892 0.400294 0.178768 ] [ 0.308892 0.099706 0.178768 ] [ 0.302466 0.25 0.452407 ] [ 0.222645 0.90232 0.490132 ] [ 0.222645 0.59768 0.490132 ] [ 0.217565 0.75 0.765777 ] [ 0.170425 0.402158 0.789397 ] [ 0.170425 0.097842 0.789397 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "P" "P" "P" "P" "P" "P" "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" 4.70302370406 "source-unit" "angstrom" } "b" { "source-value" 8.47550072 "source-unit" "angstrom" } "c" { "source-value" 8.94140082866 "source-unit" "angstrom" } "beta" { "source-value" 98.070058747 "source-unit" "degree" } }