{ "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" [ [ 0.967402 0.750556 0.749516 ] [ 0.642933 0.75129 0.250676 ] [ 0.356701 0.248364 0.750046 ] [ 0.028413 0.249871 0.25031 ] [ 0.998071 0.252698 0.995701 ] [ 0.002655 0.751471 0.006574 ] [ 0.997909 0.249583 0.507093 ] [ 0.002161 0.750343 0.493294 ] [ 0.499948 0.497578 0.999722 ] [ 0.500785 0.999052 0.998904 ] [ 0.500001 0.999726 0.500043 ] [ 0.49993 0.500397 0.499979 ] [ 0.820882 0.003285 0.408218 ] [ 0.844274 0.01586 0.092111 ] [ 0.837043 0.498748 0.404888 ] [ 0.826933 0.48914 0.089685 ] [ 0.664872 0.261462 0.911417 ] [ 0.655676 0.234779 0.590615 ] [ 0.667834 0.739838 0.912472 ] [ 0.66839 0.761612 0.587526 ] [ 0.330728 0.238681 0.412801 ] [ 0.319574 0.257715 0.084883 ] [ 0.344458 0.76563 0.409118 ] [ 0.34976 0.736414 0.09027 ] [ 0.179224 0.99602 0.591917 ] [ 0.162806 0.502103 0.595194 ] [ 0.15744 0.00919 0.907216 ] [ 0.173198 0.488593 0.909812 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.11409935 "source-unit" "angstrom" } "b" { "source-value" 5.89984389 "source-unit" "angstrom" } "c" { "source-value" 11.50132964 "source-unit" "angstrom" } "alpha" { "source-value" 90.13426558 "source-unit" "degree" } "beta" { "source-value" 90.05069153 "source-unit" "degree" } "gamma" { "source-value" 90.07617837 "source-unit" "degree" } }