{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.33737 0.682925 ] [ 0.75 0.66263 0.317075 ] [ 0.75 0.83737 0.817075 ] [ 0.25 0.16263 0.182925 ] [ 0.25 0.808156 0.565913 ] [ 0.75 0.191844 0.434087 ] [ 0.75 0.308156 0.934087 ] [ 0.25 0.691844 0.065913 ] [ 0.54908 0.302646 0.421424 ] [ 0.04908 0.697354 0.578576 ] [ 0.45092 0.802646 0.078576 ] [ 0.95092 0.197354 0.921424 ] [ 0.45092 0.697354 0.578576 ] [ 0.95092 0.302646 0.421424 ] [ 0.54908 0.197354 0.921424 ] [ 0.04908 0.802646 0.078576 ] [ 0.25 0.605538 0.929265 ] [ 0.75 0.394462 0.070735 ] [ 0.75 0.105538 0.570735 ] [ 0.25 0.894462 0.429265 ] [ 0.25 0.563772 0.18018 ] [ 0.75 0.436228 0.81982 ] [ 0.75 0.063772 0.31982 ] [ 0.25 0.936228 0.68018 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.94071661 "source-unit" "angstrom" } "b" { "source-value" 7.67259251 "source-unit" "angstrom" } "c" { "source-value" 9.47295584 "source-unit" "angstrom" } }