{ "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" [ [ 0.957552 0.43855 0.777757 ] [ 0.26521 0.218453 0.75773 ] [ 0.238959 0.28613 0.260174 ] [ 0.535749 0.050794 0.245502 ] [ 0.165854 0.890046 0.889505 ] [ 0.042448 0.56145 0.222243 ] [ 0.834146 0.109954 0.110495 ] [ 0.464251 0.949206 0.754498 ] [ 0.761041 0.71387 0.739826 ] [ 0.73479 0.781547 0.24227 ] [ 0.801682 0.048801 0.657241 ] [ 0.304469 0.546052 0.653549 ] [ 0.695531 0.453948 0.346451 ] [ 0.198318 0.951199 0.342759 ] [ 0.939222 0.197668 0.422817 ] [ 0.562205 0.305146 0.582623 ] [ 0.060778 0.802332 0.577183 ] [ 0.437795 0.694854 0.417377 ] [ 0.987566 0.232713 0.955149 ] [ 0.503248 0.754835 0.939721 ] [ 0.496752 0.245165 0.060279 ] [ 0.012434 0.767287 0.044851 ] [ 0.052425 0.26793 0.851662 ] [ 0.395467 0.131925 0.918084 ] [ 0.063999 0.140989 0.324327 ] [ 0.053396 0.36228 0.586632 ] [ 0.837066 0.096431 0.901989 ] [ 0.455237 0.14016 0.422794 ] [ 0.424386 0.366268 0.667477 ] [ 0.346298 0.635896 0.902214 ] [ 0.946604 0.63772 0.413368 ] [ 0.936001 0.859011 0.675673 ] [ 0.704073 0.267717 0.690918 ] [ 0.202636 0.751302 0.679382 ] [ 0.065388 0.326184 0.106203 ] [ 0.827599 0.034923 0.439489 ] [ 0.44912 0.241781 0.182859 ] [ 0.334482 0.534065 0.44875 ] [ 0.947575 0.73207 0.148338 ] [ 0.665518 0.465935 0.55125 ] [ 0.55088 0.758219 0.817141 ] [ 0.172401 0.965077 0.560511 ] [ 0.934612 0.673816 0.893797 ] [ 0.797364 0.248698 0.320618 ] [ 0.295927 0.732283 0.309082 ] [ 0.653702 0.364104 0.097786 ] [ 0.575614 0.633732 0.332523 ] [ 0.544763 0.85984 0.577206 ] [ 0.162934 0.903569 0.098011 ] [ 0.604533 0.868075 0.081916 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" 7.93076874 "source-unit" "angstrom" } "b" { "source-value" 8.47081684 "source-unit" "angstrom" } "c" { "source-value" 9.61351185 "source-unit" "angstrom" } "alpha" { "source-value" 111.54966808 "source-unit" "degree" } "beta" { "source-value" 102.47011381 "source-unit" "degree" } "gamma" { "source-value" 103.05238689 "source-unit" "degree" } }