{ "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" [ [ 0.006542 0.338439 0.168279 ] [ 0.009143 0.662104 0.831468 ] [ 0.336017 0.000325 0.167688 ] [ 0.327666 0.667957 0.500569 ] [ 0.663859 0.329923 0.498796 ] [ 0.658117 0.000948 0.833168 ] [ 0.99935 0.665977 0.333589 ] [ 0.001967 0.332916 0.664053 ] [ 0.663036 0.339167 0.004653 ] [ 0.670902 0.999822 0.332914 ] [ 0.999425 0.002158 0.99864 ] [ 0.661581 0.665747 0.668223 ] [ 0.334239 0.333155 0.334556 ] [ 0.329003 0.001889 0.6668 ] [ 0.335229 0.663206 0.00172 ] [ 0.018823 0.671851 0.093766 ] [ 0.007488 0.36096 0.420926 ] [ 0.012945 0.019875 0.753895 ] [ 0.341079 0.349096 0.096088 ] [ 0.352394 0.009309 0.420715 ] [ 0.67395 0.020835 0.083131 ] [ 0.299642 0.659123 0.254698 ] [ 0.306659 0.323015 0.577618 ] [ 0.661389 0.316072 0.253042 ] [ 0.337253 0.687231 0.749576 ] [ 0.69347 0.672658 0.420038 ] [ 0.700602 0.338373 0.741784 ] [ 0.323241 0.974103 0.914723 ] [ 0.640049 0.991266 0.587617 ] [ 0.657589 0.655496 0.905766 ] [ 0.994409 0.979502 0.243039 ] [ 0.997003 0.638545 0.574957 ] [ 0.985938 0.328957 0.9035 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Cu" "Cu" "Cu" "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" 6.63076783 "source-unit" "angstrom" } "b" { "source-value" 6.67571145 "source-unit" "angstrom" } "c" { "source-value" 8.40386882 "source-unit" "angstrom" } "alpha" { "source-value" 71.06717255 "source-unit" "degree" } "beta" { "source-value" 70.4782487 "source-unit" "degree" } "gamma" { "source-value" 83.29315628 "source-unit" "degree" } }