{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.754095 0.836514 0.140223 ] [ 0.254095 0.663486 0.140223 ] [ 0 0.5 0.5 ] [ 0.745905 0.336514 0.859777 ] [ 0.5 0 0.5 ] [ 0.245905 0.163486 0.859777 ] [ 0.107229 0.885767 0.733283 ] [ 0.392771 0.385767 0.266717 ] [ 0.607229 0.614233 0.733283 ] [ 0.892771 0.114233 0.266717 ] [ 0.210133 0.51231 0.274293 ] [ 0.32984 0.813035 0.008046 ] [ 0.82984 0.686965 0.008046 ] [ 0.301236 0.581805 0.779631 ] [ 0.592311 0.684795 0.456991 ] [ 0.710133 0.98769 0.274293 ] [ 0.17016 0.313035 0.991954 ] [ 0.698764 0.418195 0.220369 ] [ 0.789867 0.48769 0.725707 ] [ 0.092311 0.815205 0.456991 ] [ 0.198764 0.081805 0.220369 ] [ 0.801236 0.918195 0.779631 ] [ 0.407689 0.315205 0.543009 ] [ 0.67016 0.186965 0.991954 ] [ 0.907689 0.184795 0.543009 ] [ 0.289867 0.01231 0.725707 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "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" 5.15829144088 "source-unit" "angstrom" } "b" { "source-value" 11.7988057 "source-unit" "angstrom" } "c" { "source-value" 5.5114827788 "source-unit" "angstrom" } "beta" { "source-value" 112.163079338 "source-unit" "degree" } }