{ "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 0.860622 0.25 ] [ 0 0.139378 0.75 ] [ 0.5 0.360622 0.25 ] [ 0.5 0.639378 0.75 ] [ 0.5 0.080941 0.25 ] [ 0.5 0.919059 0.75 ] [ 0 0.580941 0.25 ] [ 0 0.419059 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.02145962849 "source-unit" "angstrom" } "b" { "source-value" 11.08185966 "source-unit" "angstrom" } "c" { "source-value" 4.66705636 "source-unit" "angstrom" } }