{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.974797 ] [ 0.666667 0.333333 0.308131 ] [ 0.333333 0.666667 0.641464 ] [ 0 0 0.488709 ] [ 0.666667 0.333333 0.822043 ] [ 0.333333 0.666667 0.155376 ] [ 0.868754 0.131246 0.553498 ] [ 0.535421 0.464579 0.886831 ] [ 0.202087 0.797913 0.220164 ] [ 0.868754 0.737508 0.553498 ] [ 0.535421 0.070841 0.886831 ] [ 0.202087 0.404175 0.220164 ] [ 0.262492 0.131246 0.553498 ] [ 0.929159 0.464579 0.886831 ] [ 0.595825 0.797913 0.220164 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Cl" "Cl" "Cl" "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" 6.15017459103 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }