{ "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" [ [ 0.196576 0.458308 0.081288 ] [ 0.726677 0.986241 0.089883 ] [ 0.248871 0.749753 0.256969 ] [ 0.499647 0.496925 0.257353 ] [ 0.511533 0.501495 0.737109 ] [ 0.01046 0.001453 0.736766 ] [ 0.800476 0.51781 0.919891 ] [ 0.287562 0.031972 0.917173 ] [ 0.34414 0.092999 0.345792 ] [ 0.842863 0.593117 0.345901 ] [ 0.146769 0.411456 0.65766 ] [ 0.651526 0.913796 0.651624 ] [ 0.020492 0.269773 0.42526 ] [ 0.515356 0.764583 0.423768 ] [ 0.978366 0.734484 0.575835 ] [ 0.480212 0.232167 0.576144 ] [ 0.455432 0.211867 0.063499 ] [ 0.958825 0.708931 0.06365 ] [ 0.04524 0.287757 0.935336 ] [ 0.544951 0.787887 0.93649 ] [ 0.9845 0.230227 0.075669 ] [ 0.48774 0.733048 0.079113 ] [ 0.532631 0.295969 0.127542 ] [ 0.050443 0.777707 0.127133 ] [ 0.323154 0.059098 0.15684 ] [ 0.813577 0.566841 0.157484 ] [ 0.685314 0.74581 0.319857 ] [ 0.008403 0.446489 0.3291 ] [ 0.198963 0.261161 0.322184 ] [ 0.492468 0.932706 0.327234 ] [ 0.974876 0.721076 0.431645 ] [ 0.47139 0.224836 0.431609 ] [ 0.348803 0.597977 0.466124 ] [ 0.855142 0.104025 0.473463 ] [ 0.641165 0.403772 0.530571 ] [ 0.139066 0.905775 0.530559 ] [ 0.527922 0.770902 0.566715 ] [ 0.032677 0.275286 0.569511 ] [ 0.499265 0.062113 0.672999 ] [ 0.800129 0.743962 0.676303 ] [ 0.999043 0.566606 0.675074 ] [ 0.304332 0.243313 0.679096 ] [ 0.188862 0.433001 0.841823 ] [ 0.687069 0.930865 0.843691 ] [ 0.965774 0.209576 0.868401 ] [ 0.461903 0.706207 0.875357 ] [ 0.505381 0.272537 0.923552 ] [ 0.006498 0.773882 0.923959 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "C" "C" "C" "C" "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" 8.38652437 "source-unit" "angstrom" } "b" { "source-value" 8.41347621 "source-unit" "angstrom" } "c" { "source-value" 10.34180909 "source-unit" "angstrom" } "alpha" { "source-value" 108.99376781 "source-unit" "degree" } "beta" { "source-value" 107.74020642 "source-unit" "degree" } "gamma" { "source-value" 102.55790948 "source-unit" "degree" } }