{ "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" [ [ 0.768508 0.540215 0.633321 ] [ 0.74379 0.24914 0.152555 ] [ 0.240943 0.36629 0.745797 ] [ 0.313689 0.969159 0.522858 ] [ 0.776803 0.799493 0.613202 ] [ 0.28387 0.899281 0.257836 ] [ 0.256314 0.39434 0.000209 ] [ 0.762681 0.001706 0.146041 ] [ 0.961912 0.194848 0.852461 ] [ 0.919064 0.5576 0.780464 ] [ 0.494319 0.621955 0.422735 ] [ 0.581186 0.989707 0.410433 ] [ 0.549596 0.200239 0.056864 ] [ 0.542996 0.580364 0.093475 ] [ 0.056723 0.910278 0.815017 ] [ 0.460929 0.869795 0.045907 ] [ 0.989977 0.81501 0.147744 ] [ 0.844811 0.344336 0.085244 ] [ 0.052619 0.259318 0.606963 ] [ 0.330673 0.523242 0.730176 ] [ 0.206676 0.046638 0.516263 ] [ 0.246988 0.819417 0.560055 ] [ 0.855791 0.745959 0.449576 ] [ 0.67311 0.807056 0.768162 ] [ 0.827918 0.352877 0.320651 ] [ 0.508148 0.087037 0.647615 ] [ 0.592723 0.407794 0.59505 ] [ 0.055442 0.187208 0.250826 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "I" "I" "I" "I" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.63483479 "source-unit" "angstrom" } "b" { "source-value" 8.69796163 "source-unit" "angstrom" } "c" { "source-value" 8.98919841 "source-unit" "angstrom" } "alpha" { "source-value" 96.88704436 "source-unit" "degree" } "beta" { "source-value" 115.74074998 "source-unit" "degree" } "gamma" { "source-value" 114.59346154 "source-unit" "degree" } }