{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.986917 0.348354 0.33222 ] [ 0.987793 0.680513 0.675937 ] [ 0.587065 0.60487 0.415089 ] [ 0.723222 0.206098 0.006591 ] [ 0.58926 0.009568 0.577007 ] [ 0.283025 0.213728 0.774481 ] [ 0.395022 0.568308 0.0023 ] [ 0.17907 0.965912 0.203732 ] [ 0.784094 0.644772 0.378522 ] [ 0.766992 0.395053 0.005405 ] [ 0.777777 0.018067 0.63524 ] [ 0.212821 0.397236 0.609005 ] [ 0.206494 0.644284 0.998844 ] [ 0.203255 0.007968 0.368912 ] ] } "species" { "source-value" [ "Al" "Al" "H" "H" "H" "H" "H" "H" "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" 4.85976841257 "source-unit" "angstrom" } "b" { "source-value" 5.0421832734 "source-unit" "angstrom" } "c" { "source-value" 5.1334172231 "source-unit" "angstrom" } "alpha" { "source-value" 61.2741533913 "source-unit" "degree" } "beta" { "source-value" 89.2085105358 "source-unit" "degree" } "gamma" { "source-value" 89.4397600693 "source-unit" "degree" } }