{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.178458 0.175593 0.350174 ] [ 0.827088 0.829169 0.651346 ] [ 0.50098 0.50269 0.002038 ] [ 0.896282 0.805776 0.999847 ] [ 0.097976 0.52939 0.76791 ] [ 0.239255 0.098048 0.766497 ] [ 0.009011 0.213575 0.615872 ] [ 0.326905 0.758742 0.230746 ] [ 0.990974 0.789875 0.384499 ] [ 0.66987 0.241737 0.767567 ] [ 0.474422 0.329309 0.232359 ] [ 0.807917 0.100931 0.001779 ] [ 0.526687 0.669824 0.76544 ] [ 0.759827 0.904459 0.233782 ] [ 0.904992 0.474549 0.232435 ] [ 0.407853 0.00898 0.616984 ] [ 0.590692 0.990788 0.383427 ] [ 0.20898 0.606887 0.614417 ] [ 0.19568 0.898435 0.000828 ] [ 0.609806 0.407326 0.615885 ] [ 0.000362 0.500471 0.001745 ] [ 0.791235 0.394493 0.385073 ] [ 0.100444 0.193414 0.000032 ] [ 0.497581 0.000525 0.003253 ] [ 0.392764 0.593495 0.383115 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.66967124133 "source-unit" "angstrom" } "b" { "source-value" 9.68943048052 "source-unit" "angstrom" } "c" { "source-value" 12.4468272415 "source-unit" "angstrom" } "alpha" { "source-value" 112.776795131 "source-unit" "degree" } "beta" { "source-value" 112.791700246 "source-unit" "degree" } "gamma" { "source-value" 89.8626082797 "source-unit" "degree" } }