{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.669869 0 0.750779 ] [ 0.2027 0 0.958258 ] [ 0.13859 0.266805 0.313828 ] [ 0.13859 0.733195 0.313828 ] [ 0.169869 0.5 0.750779 ] [ 0.7027 0.5 0.958258 ] [ 0.63859 0.766805 0.313828 ] [ 0.63859 0.233195 0.313828 ] [ 0.011446 0 0.455673 ] [ 0.511446 0.5 0.455673 ] [ 0.870652 0 0.208943 ] [ 0.232808 0 0.446022 ] [ 0.971244 0.119061 0.581788 ] [ 0.971244 0.880939 0.581788 ] [ 0.370652 0.5 0.208943 ] [ 0.732808 0.5 0.446022 ] [ 0.471244 0.619061 0.581788 ] [ 0.471244 0.380939 0.581788 ] ] } "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" 6.48475816316 "source-unit" "angstrom" } "b" { "source-value" 9.76492809365 "source-unit" "angstrom" } "c" { "source-value" 5.70076566838 "source-unit" "angstrom" } "beta" { "source-value" 106.12476686 "source-unit" "degree" } }