{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.622637 0.25 ] [ 0 0.377362 0.75 ] [ 0.5 0.122638 0.25 ] [ 0.5 0.877363 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.192077 0.25 ] [ 0 0.807923 0.75 ] [ 0.5 0.692077 0.25 ] [ 0.5 0.307923 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Au" "Au" "Au" "Au" "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" 6.39850562 "source-unit" "angstrom" } "b" { "source-value" 7.81317962 "source-unit" "angstrom" } "c" { "source-value" 7.15215346 "source-unit" "angstrom" } }