{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.968675 0.806222 ] [ 0.75 0.531325 0.306222 ] [ 0.25 0.468675 0.693778 ] [ 0.75 0.031325 0.193778 ] [ 0.75 0.067163 0.537715 ] [ 0.25 0.432837 0.037715 ] [ 0.75 0.567163 0.962285 ] [ 0.25 0.932837 0.462285 ] [ 0.25 0.792538 0.42804 ] [ 0.75 0.707462 0.92804 ] [ 0.25 0.292538 0.07196 ] [ 0.75 0.207462 0.57196 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "H" "H" "H" "H" "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" 4.06895305 "source-unit" "angstrom" } "b" { "source-value" 6.64732947 "source-unit" "angstrom" } "c" { "source-value" 8.07205934 "source-unit" "angstrom" } }