{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.361907 0.25 ] [ 0 0.000497 0.75 ] [ 0 0.638093 0.75 ] [ 0 0.999503 0.25 ] [ 0.5 0.861907 0.25 ] [ 0.5 0.500497 0.75 ] [ 0.5 0.138093 0.75 ] [ 0.5 0.499503 0.25 ] [ 0.25 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.25 0.5 ] [ 0.331476 0.854533 0.75 ] [ 0.331476 0.145467 0.25 ] [ 0.287503 0.019525 0.25 ] [ 0.287503 0.980475 0.75 ] [ 0 0.161012 0.018784 ] [ 0 0.161012 0.481216 ] [ 0 0.838988 0.518784 ] [ 0 0.838988 0.981216 ] [ 0.712497 0.980475 0.75 ] [ 0.712497 0.019525 0.25 ] [ 0.668524 0.145467 0.25 ] [ 0.668524 0.854533 0.75 ] [ 0.831476 0.354533 0.75 ] [ 0.831476 0.645467 0.25 ] [ 0.787503 0.519525 0.25 ] [ 0.787503 0.480475 0.75 ] [ 0.5 0.661012 0.018784 ] [ 0.5 0.661012 0.481216 ] [ 0.5 0.338988 0.518784 ] [ 0.5 0.338988 0.981216 ] [ 0.212497 0.480475 0.75 ] [ 0.212497 0.519525 0.25 ] [ 0.168524 0.645467 0.25 ] [ 0.168524 0.354533 0.75 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "O" "O" "O" "O" "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" 7.46770208 "source-unit" "angstrom" } "b" { "source-value" 10.45369976 "source-unit" "angstrom" } "c" { "source-value" 7.5397325 "source-unit" "angstrom" } }