{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.754986 0.072668 0.052013 ] [ 0.682233 0.8966 0.230869 ] [ 0.754986 0.927332 0.552013 ] [ 0.682233 0.1034 0.730869 ] [ 0.317767 0.8966 0.269131 ] [ 0.245014 0.072668 0.447987 ] [ 0.317767 0.1034 0.769131 ] [ 0.245014 0.927332 0.947987 ] [ 0.254986 0.572668 0.052013 ] [ 0.182233 0.3966 0.230869 ] [ 0.254986 0.427332 0.552013 ] [ 0.182233 0.6034 0.730869 ] [ 0.817767 0.3966 0.269131 ] [ 0.745014 0.572668 0.447987 ] [ 0.817767 0.6034 0.769131 ] [ 0.745014 0.427332 0.947987 ] [ 0.103472 0.085258 0.086173 ] [ 0.103472 0.914742 0.586173 ] [ 0.896528 0.085258 0.413827 ] [ 0.896528 0.914742 0.913827 ] [ 0.603472 0.585258 0.086173 ] [ 0.603472 0.414742 0.586173 ] [ 0.396528 0.585258 0.413827 ] [ 0.396528 0.414742 0.913827 ] [ 0.064674 0.598245 0.402381 ] [ 0 0.882911 0.25 ] [ 0.935326 0.598245 0.097619 ] [ 0.064674 0.401755 0.902381 ] [ 0 0.117089 0.75 ] [ 0.935326 0.401755 0.597619 ] [ 0.564674 0.098245 0.402381 ] [ 0.5 0.382911 0.25 ] [ 0.435326 0.098245 0.097619 ] [ 0.564674 0.901755 0.902381 ] [ 0.5 0.617089 0.75 ] [ 0.435326 0.901755 0.597619 ] [ 0.879507 0.04045 0.288639 ] [ 0.879507 0.95955 0.788639 ] [ 0.705423 0.92504 0.435162 ] [ 0.594047 0.9563 0.107607 ] [ 0.095917 0.683296 0.311727 ] [ 0.933547 0.858708 0.047797 ] [ 0.066453 0.858708 0.452203 ] [ 0.705423 0.07496 0.935162 ] [ 0.594047 0.0437 0.607607 ] [ 0.904083 0.683296 0.188273 ] [ 0.095917 0.316704 0.811727 ] [ 0.405953 0.9563 0.392393 ] [ 0.294577 0.92504 0.064838 ] [ 0.933547 0.141292 0.547797 ] [ 0.066453 0.141292 0.952203 ] [ 0.904083 0.316704 0.688273 ] [ 0.405953 0.0437 0.892393 ] [ 0.294577 0.07496 0.564838 ] [ 0.120493 0.04045 0.211361 ] [ 0.120493 0.95955 0.711361 ] [ 0.379507 0.54045 0.288639 ] [ 0.379507 0.45955 0.788639 ] [ 0.205423 0.42504 0.435162 ] [ 0.094047 0.4563 0.107607 ] [ 0.595917 0.183296 0.311727 ] [ 0.433547 0.358708 0.047797 ] [ 0.566453 0.358708 0.452203 ] [ 0.205423 0.57496 0.935162 ] [ 0.094047 0.5437 0.607607 ] [ 0.404083 0.183296 0.188273 ] [ 0.595917 0.816704 0.811727 ] [ 0.905953 0.4563 0.392393 ] [ 0.794577 0.42504 0.064838 ] [ 0.433547 0.641292 0.547797 ] [ 0.566453 0.641292 0.952203 ] [ 0.404083 0.816704 0.688273 ] [ 0.905953 0.5437 0.892393 ] [ 0.794577 0.57496 0.564838 ] [ 0.620493 0.54045 0.211361 ] [ 0.620493 0.45955 0.711361 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.24636859 "source-unit" "angstrom" } "b" { "source-value" 5.39248662 "source-unit" "angstrom" } "c" { "source-value" 17.08257624 "source-unit" "angstrom" } "beta" { "source-value" 99.01569627 "source-unit" "degree" } }