{ "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" [ [ 0.154841 0.999745 0.253748 ] [ 0.155601 0.998597 0.75265 ] [ 0.329851 0.244956 0.504516 ] [ 0.326712 0.249577 0.002095 ] [ 0.671481 0.252549 0.753701 ] [ 0.846121 0.50057 0.504851 ] [ 0.661634 0.261678 0.24974 ] [ 0.821471 0.502746 0.004353 ] [ 0.66209 0.738036 0.252924 ] [ 0.662032 0.742418 0.755175 ] [ 0.335773 0.758152 0.504197 ] [ 0.331624 0.751308 0.000349 ] [ 0.832734 0.007729 0.997441 ] [ 0.830545 0.00601 0.503199 ] [ 0.174951 0.490406 0.74815 ] [ 0.177264 0.495231 0.253771 ] [ 0.84143 0.004475 0.349948 ] [ 0.098048 0.012274 0.558445 ] [ 0.835092 0.008916 0.844424 ] [ 0.096337 0.014931 0.053938 ] [ 0.684353 0.204518 0.554861 ] [ 0.67711 0.205356 0.045819 ] [ 0.316204 0.29259 0.802896 ] [ 0.305827 0.290149 0.310273 ] [ 0.180709 0.486325 0.101128 ] [ 0.911546 0.499468 0.31157 ] [ 0.176749 0.487875 0.59465 ] [ 0.901792 0.484373 0.795659 ] [ 0.302149 0.708907 0.298535 ] [ 0.293865 0.705397 0.796272 ] [ 0.704679 0.792483 0.5494 ] [ 0.699385 0.802256 0.048731 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.43902114 "source-unit" "angstrom" } "b" { "source-value" 6.22688288 "source-unit" "angstrom" } "c" { "source-value" 10.17685385 "source-unit" "angstrom" } "alpha" { "source-value" 89.98918342 "source-unit" "degree" } "beta" { "source-value" 89.68960725 "source-unit" "degree" } "gamma" { "source-value" 89.53917262 "source-unit" "degree" } }