{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.675853 0.75 ] [ 0 0.324147 0.25 ] [ 0.199149 0.156868 0.942269 ] [ 0.199149 0.843132 0.442269 ] [ 0.5 0.160691 0.75 ] [ 0.5 0.839309 0.25 ] [ 0.800851 0.156868 0.557731 ] [ 0.800851 0.843132 0.057731 ] [ 0.297314 0.294762 0.564631 ] [ 0.297314 0.705238 0.064631 ] [ 0.702686 0.294762 0.935369 ] [ 0.702686 0.705238 0.435369 ] [ 0.020631 0.300196 0.904689 ] [ 0.020631 0.699804 0.404689 ] [ 0.163956 0.913683 0.94983 ] [ 0.163956 0.086317 0.44983 ] [ 0.404353 0.741995 0.47021 ] [ 0.404353 0.258005 0.97021 ] [ 0.380218 0.036156 0.664754 ] [ 0.380218 0.963844 0.164754 ] [ 0.5 0.398457 0.75 ] [ 0.5 0.601543 0.25 ] [ 0.619782 0.036156 0.835246 ] [ 0.619782 0.963844 0.335246 ] [ 0.595647 0.741995 0.02979 ] [ 0.595647 0.258005 0.52979 ] [ 0.836044 0.913683 0.55017 ] [ 0.836044 0.086317 0.05017 ] [ 0.979369 0.300196 0.595311 ] [ 0.979369 0.699804 0.095311 ] ] } "species" { "source-value" [ "Rb" "Rb" "B" "B" "B" "B" "B" "B" "Te" "Te" "Te" "Te" "O" "O" "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" 6.24648694 "source-unit" "angstrom" } "b" { "source-value" 5.69515579 "source-unit" "angstrom" } "c" { "source-value" 13.5635778 "source-unit" "angstrom" } "beta" { "source-value" 104.30289974 "source-unit" "degree" } }