{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.866715 0.510378 0.272946 ] [ 0.633285 0.010378 0.227054 ] [ 0.866715 0.489622 0.772946 ] [ 0.633285 0.989622 0.727054 ] [ 0.366715 0.010378 0.272946 ] [ 0.133285 0.510378 0.227054 ] [ 0.366715 0.989622 0.772946 ] [ 0.133285 0.489622 0.727054 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.311476 0.75 ] [ 0.5 0.688524 0.25 ] [ 0.581304 0.825645 0.952222 ] [ 0.918696 0.325645 0.547778 ] [ 0.918696 0.674355 0.047778 ] [ 0.581304 0.174355 0.452222 ] [ 0.680409 0.357243 0.145988 ] [ 0.819591 0.857243 0.354012 ] [ 0.819591 0.142757 0.854012 ] [ 0.680409 0.642757 0.645988 ] [ 0 0.811476 0.75 ] [ 0 0.188524 0.25 ] [ 0.081304 0.325645 0.952222 ] [ 0.418696 0.825645 0.547778 ] [ 0.418696 0.174355 0.047778 ] [ 0.081304 0.674355 0.452222 ] [ 0.180409 0.857243 0.145988 ] [ 0.319591 0.357243 0.354012 ] [ 0.319591 0.642757 0.854012 ] [ 0.180409 0.142757 0.645988 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "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" 9.49677204 "source-unit" "angstrom" } "b" { "source-value" 4.71805823 "source-unit" "angstrom" } "c" { "source-value" 6.69984934 "source-unit" "angstrom" } "beta" { "source-value" 112.06007771 "source-unit" "degree" } }