{ "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" [ [ 0.5 0.197934 0.75 ] [ 0.5 0.802066 0.25 ] [ 0 0.697934 0.75 ] [ 0 0.302066 0.25 ] [ 0 0.002444 0.25 ] [ 0 0.997556 0.75 ] [ 0.5 0.502444 0.25 ] [ 0.5 0.497556 0.75 ] [ 0 0.109066 0.504636 ] [ 0 0.890934 0.495364 ] [ 0 0.109066 0.995364 ] [ 0 0.890934 0.004636 ] [ 0.5 0.609066 0.504636 ] [ 0.5 0.390934 0.495364 ] [ 0.5 0.609066 0.995364 ] [ 0.5 0.390934 0.004636 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "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" 4.88031672 "source-unit" "angstrom" } "b" { "source-value" 12.35460883 "source-unit" "angstrom" } "c" { "source-value" 6.13360484 "source-unit" "angstrom" } }