{ "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" [ [ 0.232932 0.364016 0.405126 ] [ 0.767068 0.635984 0.594874 ] [ 0.5 0 0 ] [ 0.045644 0.247349 0.953075 ] [ 0.173294 0.992068 0.797741 ] [ 0.150118 0.86383 0.564001 ] [ 0.342384 0.302305 0.884155 ] [ 0.383844 0.112777 0.65135 ] [ 0.396827 0.437957 0.712841 ] [ 0.603173 0.562043 0.287159 ] [ 0.616156 0.887223 0.34865 ] [ 0.657616 0.697695 0.115845 ] [ 0.849882 0.13617 0.435999 ] [ 0.826706 0.007932 0.202259 ] [ 0.954356 0.752651 0.046925 ] [ 0.114647 0.570582 0.949294 ] [ 0.109599 0.71158 0.379092 ] [ 0.209604 0.814778 0.897201 ] [ 0.229186 0.55547 0.165269 ] [ 0.196858 0.017896 0.1247 ] [ 0.284253 0.750915 0.248309 ] [ 0.367588 0.698101 0.74363 ] [ 0.366651 0.017518 0.215545 ] [ 0.373133 0.95769 0.407994 ] [ 0.490281 0.647401 0.956276 ] [ 0.509719 0.352599 0.043724 ] [ 0.626867 0.04231 0.592006 ] [ 0.633349 0.982482 0.784455 ] [ 0.632412 0.301899 0.25637 ] [ 0.715747 0.249085 0.751691 ] [ 0.803142 0.982104 0.8753 ] [ 0.770814 0.44453 0.834731 ] [ 0.790396 0.185222 0.102799 ] [ 0.890401 0.28842 0.620908 ] [ 0.885353 0.429418 0.050706 ] [ 0.04072 0.072416 0.884196 ] [ 0.086687 0.697231 0.965876 ] [ 0.085632 0.882746 0.679329 ] [ 0.069457 0.72786 0.464749 ] [ 0.180799 0.366214 0.948201 ] [ 0.293141 0.137219 0.773821 ] [ 0.288024 0.883335 0.856383 ] [ 0.189081 0.655097 0.231908 ] [ 0.286056 0.973869 0.548254 ] [ 0.384068 0.278993 0.619507 ] [ 0.321318 0.065693 0.146003 ] [ 0.396297 0.589584 0.675923 ] [ 0.469631 0.250155 0.969296 ] [ 0.587229 0.553892 0.161044 ] [ 0.432729 0.935674 0.32742 ] [ 0.567271 0.064326 0.67258 ] [ 0.412771 0.446108 0.838956 ] [ 0.530369 0.749845 0.030704 ] [ 0.603703 0.410416 0.324077 ] [ 0.678682 0.934307 0.853997 ] [ 0.615932 0.721007 0.380493 ] [ 0.713944 0.026131 0.451746 ] [ 0.810919 0.344903 0.768092 ] [ 0.711976 0.116665 0.143617 ] [ 0.706859 0.862781 0.226179 ] [ 0.819201 0.633786 0.051799 ] [ 0.930543 0.27214 0.535251 ] [ 0.914368 0.117254 0.320671 ] [ 0.913313 0.302769 0.034124 ] [ 0.95928 0.927584 0.115804 ] ] } "species" { "source-value" [ "Rb" "Rb" "Co" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.5769729 "source-unit" "angstrom" } "b" { "source-value" 7.9174408 "source-unit" "angstrom" } "c" { "source-value" 11.13535536 "source-unit" "angstrom" } "alpha" { "source-value" 107.41684434 "source-unit" "degree" } "beta" { "source-value" 93.51607209 "source-unit" "degree" } "gamma" { "source-value" 92.14368944 "source-unit" "degree" } }