{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.468837 0.992021 0.743465 ] [ 0.030654 0.64607 0.665016 ] [ 0 0 0 ] [ 0.531163 0.007979 0.256535 ] [ 0 0 0.5 ] [ 0.969346 0.35393 0.334984 ] [ 0.578243 0.69682 0.878783 ] [ 0.547762 0.726532 0.478795 ] [ 0.421757 0.30318 0.121217 ] [ 0.982185 0.246026 0.829313 ] [ 0.452238 0.273468 0.521205 ] [ 0.017815 0.753974 0.170687 ] [ 0.123179 0.074442 0.853104 ] [ 0.700559 0.923303 0.57831 ] [ 0.723133 0.55718 0.732226 ] [ 0.367303 0.788088 0.170096 ] [ 0.937521 0.803737 0.33904 ] [ 0.310454 0.77682 0.617043 ] [ 0.632697 0.211912 0.829904 ] [ 0.227697 0.691446 0.838859 ] [ 0.299441 0.076697 0.42169 ] [ 0.690939 0.88397 0.875607 ] [ 0.791777 0.600706 0.500291 ] [ 0.208223 0.399294 0.499709 ] [ 0.772303 0.308554 0.161141 ] [ 0.309061 0.11603 0.124393 ] [ 0.689546 0.22318 0.382957 ] [ 0.876821 0.925558 0.146896 ] [ 0.276867 0.44282 0.267774 ] [ 0.062479 0.196263 0.66096 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "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" 4.81313672831 "source-unit" "angstrom" } "b" { "source-value" 8.92620797373 "source-unit" "angstrom" } "c" { "source-value" 10.7357202576 "source-unit" "angstrom" } "alpha" { "source-value" 113.526184703 "source-unit" "degree" } "beta" { "source-value" 91.1885480994 "source-unit" "degree" } "gamma" { "source-value" 90.2582627472 "source-unit" "degree" } }