{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.485879 0.835823 0.003185 ] [ 0.485879 0.164177 0.003185 ] [ 0.985879 0.335823 0.003185 ] [ 0.985879 0.664177 0.003185 ] [ 0.904154 0.114454 0.715029 ] [ 0.904154 0.885546 0.715029 ] [ 0.413598 0 0.588617 ] [ 0.199309 0.793085 0.410266 ] [ 0.199309 0.206915 0.410266 ] [ 0.805684 0 0.257792 ] [ 0.404154 0.614454 0.715029 ] [ 0.404154 0.385546 0.715029 ] [ 0.913598 0.5 0.588617 ] [ 0.699309 0.293085 0.410266 ] [ 0.699309 0.706915 0.410266 ] [ 0.305684 0.5 0.257792 ] [ 0.793629 0.196678 0.77293 ] [ 0.793629 0.803322 0.77293 ] [ 0.354023 0 0.783371 ] [ 0.170823 0.815387 0.211737 ] [ 0.170823 0.184613 0.211737 ] [ 0.614373 0 0.223197 ] [ 0.293629 0.696678 0.77293 ] [ 0.293629 0.303322 0.77293 ] [ 0.854023 0.5 0.783371 ] [ 0.670823 0.315387 0.211737 ] [ 0.670823 0.684613 0.211737 ] [ 0.114373 0.5 0.223197 ] ] } "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" 5.04669637512 "source-unit" "angstrom" } "b" { "source-value" 9.03168512409 "source-unit" "angstrom" } "c" { "source-value" 4.78538218847 "source-unit" "angstrom" } "beta" { "source-value" 90.5851546115 "source-unit" "degree" } }