{ "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" [ [ 0.755857 0.575242 0.796814 ] [ 0.244143 0.424758 0.203186 ] [ 0.747117 0.057751 0.778353 ] [ 0.252883 0.942249 0.221647 ] [ 0.982365 0.253634 0.511585 ] [ 0.017635 0.746366 0.488415 ] [ 0.550918 0.72102 0.386314 ] [ 0.449082 0.27898 0.613686 ] [ 0.777844 0.952975 0.171312 ] [ 0.222156 0.047025 0.828688 ] [ 0.77324 0.378241 0.173869 ] [ 0.22676 0.621759 0.826131 ] [ 0.679359 0.171285 0.202977 ] [ 0.297971 0.232633 0.453003 ] [ 0.328502 0.729571 0.403902 ] [ 0.671498 0.270429 0.596098 ] [ 0.580499 0.858187 0.238137 ] [ 0.419501 0.141813 0.761863 ] [ 0.049533 0.554657 0.69215 ] [ 0.950467 0.445343 0.30785 ] [ 0.04728 0.043566 0.692839 ] [ 0.95272 0.956434 0.307161 ] [ 0.215945 0.633784 0.029239 ] [ 0.574886 0.499167 0.252254 ] [ 0.205605 0.133286 0.033084 ] [ 0.794395 0.866714 0.966916 ] [ 0.320641 0.828715 0.797023 ] [ 0.784055 0.366216 0.970761 ] [ 0.425114 0.500833 0.747746 ] [ 0.702029 0.767367 0.546997 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "As" "As" "As" "As" "As" "As" "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" 7.45716732822 "source-unit" "angstrom" } "b" { "source-value" 7.61516577431 "source-unit" "angstrom" } "c" { "source-value" 8.2611786922 "source-unit" "angstrom" } "alpha" { "source-value" 103.78719772 "source-unit" "degree" } "beta" { "source-value" 92.6378604878 "source-unit" "degree" } "gamma" { "source-value" 90.3218599831 "source-unit" "degree" } }