{ "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" [ [ 0.844806 0.000016 0.755172 ] [ 0.673468 0.754944 0.505108 ] [ 0.671672 0.751905 0.003553 ] [ 0.327655 0.746665 0.754484 ] [ 0.326529 0.749772 0.254652 ] [ 0.155023 0.499574 0.003637 ] [ 0.156288 0.500159 0.505229 ] [ 0.326903 0.25049 0.254984 ] [ 0.326268 0.253208 0.754048 ] [ 0.673942 0.246454 0.505983 ] [ 0.825815 0.002233 0.253702 ] [ 0.664726 0.244378 0.00259 ] [ 0.178131 0.995654 0.997972 ] [ 0.178687 0.999925 0.503239 ] [ 0.826252 0.501816 0.747525 ] [ 0.82834 0.502947 0.253127 ] [ 0.193265 0.000012 0.346404 ] [ 0.901113 0.000051 0.55186 ] [ 0.186325 0.000105 0.841942 ] [ 0.898789 0.984218 0.043924 ] [ 0.314075 0.793109 0.555717 ] [ 0.317846 0.792749 0.051751 ] [ 0.687529 0.705201 0.80207 ] [ 0.682326 0.703261 0.307577 ] [ 0.827046 0.509556 0.096536 ] [ 0.103827 0.50096 0.303166 ] [ 0.822597 0.503804 0.591248 ] [ 0.101458 0.499858 0.799864 ] [ 0.684078 0.300824 0.306122 ] [ 0.686687 0.292485 0.793656 ] [ 0.313432 0.206691 0.555119 ] [ 0.295103 0.206976 0.055449 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" 5.33800732 "source-unit" "angstrom" } "b" { "source-value" 6.21500916 "source-unit" "angstrom" } "c" { "source-value" 9.95567516 "source-unit" "angstrom" } "alpha" { "source-value" 89.87822354 "source-unit" "degree" } "beta" { "source-value" 89.81502533 "source-unit" "degree" } "gamma" { "source-value" 89.91042582 "source-unit" "degree" } }