{ "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" [ [ 0.133372 0.5 0.48963 ] [ 0.188775 0.5 0.138975 ] [ 0.866628 0.5 0.51037 ] [ 0.967089 0 0.185868 ] [ 0.032911 0 0.814132 ] [ 0.811225 0.5 0.861025 ] [ 0.633372 0 0.48963 ] [ 0.688775 0 0.138975 ] [ 0.366628 0 0.51037 ] [ 0.467089 0.5 0.185868 ] [ 0.532911 0.5 0.814132 ] [ 0.311225 0 0.861025 ] [ 0.201958 0 0.626685 ] [ 0.872082 0 0.714433 ] [ 0.972712 0.5 0.341405 ] [ 0.798042 0 0.373315 ] [ 0.823426 0 0.028456 ] [ 0.176574 0 0.971544 ] [ 0.027288 0.5 0.658595 ] [ 0 0.5 0 ] [ 0.127918 0 0.285567 ] [ 0.701958 0.5 0.626685 ] [ 0.372082 0.5 0.714433 ] [ 0.472712 0 0.341405 ] [ 0.298042 0.5 0.373315 ] [ 0.323426 0.5 0.028456 ] [ 0.676574 0.5 0.971544 ] [ 0.527288 0 0.658595 ] [ 0.5 0 0 ] [ 0.627918 0.5 0.285567 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "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" 14.4365671053 "source-unit" "angstrom" } "b" { "source-value" 3.70475866 "source-unit" "angstrom" } "c" { "source-value" 8.98373085892 "source-unit" "angstrom" } "beta" { "source-value" 100.236059815 "source-unit" "degree" } }