{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.748077 0 ] [ 0.253286 0.090771 0.755255 ] [ 0.230161 0.910572 0.240644 ] [ 0.746714 0.090771 0.244745 ] [ 0.769839 0.910572 0.759356 ] [ 0 0.078332 0 ] [ 0.5 0.248077 0 ] [ 0.753286 0.590771 0.755255 ] [ 0.730161 0.410572 0.240644 ] [ 0.246714 0.590771 0.244745 ] [ 0.269839 0.410572 0.759356 ] [ 0.5 0.578332 0 ] [ 0 0.930315 0.5 ] [ 0.758421 0.248266 0.752767 ] [ 0.241579 0.248266 0.247233 ] [ 0 0.575737 0.5 ] [ 0 0.424699 0 ] [ 0.5 0.430315 0.5 ] [ 0.258421 0.748266 0.752767 ] [ 0.741579 0.748266 0.247233 ] [ 0.5 0.075737 0.5 ] [ 0.5 0.924699 0 ] [ 0.931358 0.752803 0.634744 ] [ 0.068642 0.752803 0.365256 ] [ 0.154604 0.080893 0.373377 ] [ 0.369734 0.080303 0.118466 ] [ 0.154017 0.90321 0.877898 ] [ 0.630266 0.080303 0.881534 ] [ 0.333925 0.928545 0.617303 ] [ 0.845396 0.080893 0.626623 ] [ 0.666075 0.928545 0.382697 ] [ 0.915482 0.25648 0.13622 ] [ 0.845983 0.90321 0.122102 ] [ 0.084518 0.25648 0.86378 ] [ 0.431358 0.252803 0.634744 ] [ 0.568642 0.252803 0.365256 ] [ 0.654604 0.580893 0.373377 ] [ 0.869734 0.580303 0.118466 ] [ 0.654017 0.40321 0.877898 ] [ 0.130266 0.580303 0.881534 ] [ 0.833925 0.428545 0.617303 ] [ 0.345396 0.580893 0.626623 ] [ 0.166075 0.428545 0.382697 ] [ 0.415482 0.75648 0.13622 ] [ 0.345983 0.40321 0.122102 ] [ 0.584518 0.75648 0.86378 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.33591626 "source-unit" "angstrom" } "b" { "source-value" 8.62855814 "source-unit" "angstrom" } "c" { "source-value" 9.52160745 "source-unit" "angstrom" } "beta" { "source-value" 97.64028621 "source-unit" "degree" } }