{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.375 0.875 0.875 ] [ 0.125 0.125 0.625 ] [ 0.375 0.375 0.375 ] [ 0.125 0.625 0.125 ] [ 0.875 0.875 0.375 ] [ 0.625 0.125 0.125 ] [ 0.875 0.375 0.875 ] [ 0.625 0.625 0.625 ] [ 0.125 0.125 0.125 ] [ 0.375 0.875 0.375 ] [ 0.125 0.625 0.625 ] [ 0.375 0.375 0.875 ] [ 0.625 0.125 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.625 0.125 ] [ 0.875 0.375 0.375 ] [ 0.202203 0.047797 0.047797 ] [ 0.297797 0.952203 0.452203 ] [ 0.452203 0.952203 0.297797 ] [ 0.297797 0.797797 0.297797 ] [ 0.047797 0.047797 0.202203 ] [ 0.952203 0.297797 0.452203 ] [ 0.547797 0.702203 0.047797 ] [ 0.202203 0.202203 0.202203 ] [ 0.202203 0.547797 0.547797 ] [ 0.297797 0.452203 0.952203 ] [ 0.452203 0.452203 0.797797 ] [ 0.297797 0.297797 0.797797 ] [ 0.047797 0.547797 0.702203 ] [ 0.952203 0.797797 0.952203 ] [ 0.547797 0.202203 0.547797 ] [ 0.202203 0.702203 0.702203 ] [ 0.702203 0.047797 0.547797 ] [ 0.797797 0.952203 0.952203 ] [ 0.952203 0.952203 0.797797 ] [ 0.797797 0.797797 0.797797 ] [ 0.547797 0.047797 0.702203 ] [ 0.452203 0.297797 0.952203 ] [ 0.047797 0.702203 0.547797 ] [ 0.702203 0.202203 0.702203 ] [ 0.702203 0.547797 0.047797 ] [ 0.797797 0.452203 0.452203 ] [ 0.952203 0.452203 0.297797 ] [ 0.797797 0.297797 0.297797 ] [ 0.547797 0.547797 0.202203 ] [ 0.452203 0.797797 0.452203 ] [ 0.047797 0.202203 0.047797 ] [ 0.702203 0.702203 0.202203 ] [ 0.508767 0.008767 0.241233 ] [ 0.008767 0.241233 0.508767 ] [ 0.258767 0.258767 0.258767 ] [ 0.491233 0.758767 0.991233 ] [ 0.241233 0.741233 0.241233 ] [ 0.258767 0.991233 0.991233 ] [ 0.991233 0.991233 0.258767 ] [ 0.241233 0.008767 0.508767 ] [ 0.508767 0.508767 0.741233 ] [ 0.008767 0.741233 0.008767 ] [ 0.258767 0.758767 0.758767 ] [ 0.491233 0.258767 0.491233 ] [ 0.241233 0.241233 0.741233 ] [ 0.258767 0.491233 0.491233 ] [ 0.991233 0.491233 0.758767 ] [ 0.241233 0.508767 0.008767 ] [ 0.008767 0.008767 0.741233 ] [ 0.508767 0.241233 0.008767 ] [ 0.758767 0.258767 0.758767 ] [ 0.991233 0.758767 0.491233 ] [ 0.741233 0.741233 0.741233 ] [ 0.758767 0.991233 0.491233 ] [ 0.491233 0.991233 0.758767 ] [ 0.741233 0.008767 0.008767 ] [ 0.008767 0.508767 0.241233 ] [ 0.508767 0.741233 0.508767 ] [ 0.758767 0.758767 0.258767 ] [ 0.991233 0.258767 0.991233 ] [ 0.741233 0.241233 0.241233 ] [ 0.758767 0.491233 0.991233 ] [ 0.491233 0.491233 0.258767 ] [ 0.741233 0.508767 0.508767 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 11.8771023352 "source-unit" "angstrom" } }