{ "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" [ [ 0.019812 0.664933 0.046395 ] [ 0.980188 0.164933 0.453605 ] [ 0.980188 0.335067 0.953605 ] [ 0.019812 0.835067 0.546395 ] [ 0.362421 0.615841 0.750099 ] [ 0.793465 0.95596 0.136853 ] [ 0.637579 0.115841 0.749901 ] [ 0.793465 0.54404 0.636853 ] [ 0.206535 0.04404 0.863147 ] [ 0.609315 0.811346 0.791025 ] [ 0.609315 0.688654 0.291025 ] [ 0.390685 0.311346 0.708975 ] [ 0.637579 0.384159 0.249901 ] [ 0.390685 0.188654 0.208975 ] [ 0.362421 0.884159 0.250099 ] [ 0.206535 0.45596 0.363147 ] [ 0.186219 0.170785 0.165802 ] [ 0.215703 0.482999 0.177554 ] [ 0.749883 0.201337 0.706949 ] [ 0.215703 0.017001 0.677554 ] [ 0.813781 0.670785 0.334198 ] [ 0.749883 0.298663 0.206949 ] [ 0.186219 0.329215 0.665802 ] [ 0.784297 0.982999 0.322446 ] [ 0.813781 0.829215 0.834198 ] [ 0.250117 0.798663 0.293051 ] [ 0.250117 0.701337 0.793051 ] [ 0.784297 0.517001 0.822446 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "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" 4.83916471812 "source-unit" "angstrom" } "b" { "source-value" 8.76699641 "source-unit" "angstrom" } "c" { "source-value" 5.10534689684 "source-unit" "angstrom" } "beta" { "source-value" 101.370538861 "source-unit" "degree" } }