{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.320266 0.698437 0.063376 ] [ 0.320266 0.698437 0.436624 ] [ 0.820266 0.801563 0.936624 ] [ 0.679734 0.301563 0.563376 ] [ 0.679734 0.301563 0.936624 ] [ 0.179734 0.198437 0.063376 ] [ 0.179734 0.198437 0.436624 ] [ 0.820266 0.801563 0.563376 ] [ 0.820512 0.547012 0.374055 ] [ 0.908673 0.045684 0.75 ] [ 0.679488 0.047012 0.125945 ] [ 0.320512 0.952988 0.625945 ] [ 0.679488 0.047012 0.374055 ] [ 0.820512 0.547012 0.125945 ] [ 0.179488 0.452988 0.625945 ] [ 0.091327 0.954316 0.25 ] [ 0.179488 0.452988 0.874055 ] [ 0.591327 0.545684 0.75 ] [ 0.320512 0.952988 0.874055 ] [ 0.408673 0.454316 0.25 ] [ 0.852105 0.072808 0.460031 ] [ 0.911142 0.37917 0.077177 ] [ 0.852105 0.072808 0.039969 ] [ 0.088858 0.62083 0.922823 ] [ 0.239503 0.942094 0.346189 ] [ 0.739503 0.557906 0.846189 ] [ 0.970115 0.700114 0.096671 ] [ 0.739503 0.557906 0.653811 ] [ 0.352105 0.427192 0.960031 ] [ 0.147895 0.927192 0.539969 ] [ 0.260497 0.442094 0.153811 ] [ 0.411142 0.12083 0.922823 ] [ 0.970115 0.700114 0.403329 ] [ 0.239503 0.942094 0.153811 ] [ 0.529885 0.200114 0.096671 ] [ 0.029885 0.299886 0.903329 ] [ 0.588858 0.87917 0.077177 ] [ 0.935352 0.844071 0.75 ] [ 0.529885 0.200114 0.403329 ] [ 0.411142 0.12083 0.577177 ] [ 0.588858 0.87917 0.422823 ] [ 0.147895 0.927192 0.960031 ] [ 0.647895 0.572808 0.460031 ] [ 0.352105 0.427192 0.539969 ] [ 0.435352 0.655929 0.25 ] [ 0.470115 0.799886 0.903329 ] [ 0.647895 0.572808 0.039969 ] [ 0.088858 0.62083 0.577177 ] [ 0.564648 0.344071 0.75 ] [ 0.911142 0.37917 0.422823 ] [ 0.064648 0.155929 0.25 ] [ 0.470115 0.799886 0.596671 ] [ 0.029885 0.299886 0.596671 ] [ 0.260497 0.442094 0.346189 ] [ 0.760497 0.057906 0.846189 ] [ 0.760497 0.057906 0.653811 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 7.11018551 "source-unit" "angstrom" } "b" { "source-value" 8.49054942 "source-unit" "angstrom" } "c" { "source-value" 14.35188022 "source-unit" "angstrom" } }