{ "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" [ [ 0.139366 0.585514 0.79272 ] [ 0 0.5 0.5 ] [ 0.860634 0.414486 0.20728 ] [ 0 0 0 ] [ 0.356278 0.826133 0.712379 ] [ 0.719677 0.025914 0.69544 ] [ 0.280323 0.974086 0.30456 ] [ 0.643722 0.173867 0.287621 ] [ 0.553884 0.714663 0.618788 ] [ 0.661516 0.720578 0.011261 ] [ 0.000807 0.534713 0.317029 ] [ 0.338484 0.279422 0.988739 ] [ 0.999193 0.465287 0.682971 ] [ 0.446116 0.285337 0.381212 ] [ 0.907641 0.890716 0.409643 ] [ 0.202735 0.726942 0.242968 ] [ 0.962199 0.742767 0.086559 ] [ 0.69296 0.916213 0.913426 ] [ 0.414019 0.897942 0.529673 ] [ 0.797265 0.273058 0.757032 ] [ 0.585981 0.102058 0.470327 ] [ 0.30704 0.083787 0.086574 ] [ 0.037801 0.257233 0.913441 ] [ 0.092359 0.109284 0.590357 ] [ 0.535919 0.578189 0.534733 ] [ 0.949266 0.733222 0.035532 ] [ 0.370282 0.089904 0.8968 ] [ 0.174273 0.846855 0.62109 ] [ 0.66798 0.73336 0.667811 ] [ 0.062398 0.068311 0.540072 ] [ 0.011644 0.805726 0.287841 ] [ 0.136883 0.411025 0.099648 ] [ 0.012991 0.870009 0.203131 ] [ 0.645178 0.946897 0.966466 ] [ 0.874434 0.07999 0.902059 ] [ 0.613157 0.610477 0.757596 ] [ 0.459235 0.011998 0.578815 ] [ 0.152225 0.601767 0.394531 ] [ 0.438324 0.834331 0.249545 ] [ 0.125566 0.92001 0.097941 ] [ 0.863117 0.588975 0.900352 ] [ 0.561676 0.165669 0.750455 ] [ 0.847775 0.398233 0.605469 ] [ 0.540765 0.988002 0.421185 ] [ 0.825727 0.153145 0.37891 ] [ 0.629718 0.910096 0.1032 ] [ 0.386843 0.389523 0.242404 ] [ 0.354822 0.053103 0.033534 ] [ 0.987009 0.129991 0.796869 ] [ 0.464081 0.421811 0.465267 ] [ 0.988356 0.194274 0.712159 ] [ 0.937602 0.931689 0.459928 ] [ 0.33202 0.26664 0.332189 ] [ 0.050734 0.266778 0.964468 ] [ 0.660088 0.419322 0.030368 ] [ 0.097861 0.665258 0.712852 ] [ 0.339912 0.580678 0.969632 ] [ 0.695 0.698278 0.346587 ] [ 0.305 0.301722 0.653413 ] [ 0.902139 0.334742 0.287148 ] ] } "species" { "source-value" [ "K" "K" "K" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" 5.35262576 "source-unit" "angstrom" } "b" { "source-value" 5.4519748 "source-unit" "angstrom" } "c" { "source-value" 32.64016317 "source-unit" "angstrom" } "alpha" { "source-value" 88.79405378 "source-unit" "degree" } "beta" { "source-value" 87.98662736 "source-unit" "degree" } "gamma" { "source-value" 62.29806133 "source-unit" "degree" } }