{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.230512 ] [ 0.5 0.75 0.769488 ] [ 0.5 0.25 0.230512 ] [ 0 0.25 0.769488 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0.894751 0.709936 ] [ 0.5 0.105249 0.709936 ] [ 0.5 0.894751 0.290064 ] [ 0 0.105249 0.290064 ] [ 0.5 0.394751 0.709936 ] [ 0 0.605249 0.709936 ] [ 0 0.394751 0.290064 ] [ 0.5 0.605249 0.290064 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cd" "Cd" "Cd" "Cd" "Au" "Au" "Au" "Au" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83984522953 "source-unit" "angstrom" } "b" { "source-value" 14.1945895482 "source-unit" "angstrom" } "c" { "source-value" 6.22467716 "source-unit" "angstrom" } }