{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.777419 ] [ 0.5 0 0.222581 ] [ 0 0.5 0.277419 ] [ 0 0.5 0.722581 ] [ 0 0.154742 0 ] [ 0 0.845258 0 ] [ 0.5 0.654742 0.5 ] [ 0.5 0.345258 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "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" 5.07675731775 "source-unit" "angstrom" } "b" { "source-value" 6.89045839083 "source-unit" "angstrom" } "c" { "source-value" 8.79028957636 "source-unit" "angstrom" } }