{ "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" [ [ 0.071553 0.711017 0.784796 ] [ 0.355321 0.571573 0.927338 ] [ 0.145701 0.429534 0.572259 ] [ 0.283539 0.853637 0.142645 ] [ 0.782296 0.853559 0.63978 ] [ 0.429992 0.287534 0.713544 ] [ 0.570008 0.712466 0.286456 ] [ 0.716461 0.146363 0.857355 ] [ 0.854299 0.570466 0.427741 ] [ 0.217704 0.146441 0.36022 ] [ 0.5 0 0.5 ] [ 0.644679 0.428427 0.072662 ] [ 0.928447 0.288983 0.215204 ] [ 0.140958 0.928458 0.566106 ] [ 0.428409 0.786049 0.712799 ] [ 0.066091 0.215642 0.786526 ] [ 0.712278 0.63959 0.853136 ] [ 0.211922 0.64324 0.359674 ] [ 0.646799 0.931827 0.076724 ] [ 0 0.5 0 ] [ 0.353201 0.068173 0.923276 ] [ 0.5 0.5 0.5 ] [ 0.788078 0.35676 0.640326 ] [ 0.933909 0.784358 0.213474 ] [ 0.287722 0.36041 0.146864 ] [ 0.571591 0.213951 0.287201 ] [ 0 0 0 ] [ 0.859042 0.071542 0.433894 ] [ 0.070218 0.969942 0.801056 ] [ 0.367719 0.833415 0.925163 ] [ 0.143116 0.694644 0.560234 ] [ 0.068379 0.458274 0.789071 ] [ 0.203809 0.885567 0.348788 ] [ 0.004929 0.23696 0.997711 ] [ 0.72794 0.890003 0.870842 ] [ 0.43961 0.54373 0.702925 ] [ 0.595982 0.976397 0.294855 ] [ 0.346507 0.307449 0.925239 ] [ 0.490696 0.733898 0.504633 ] [ 0.875747 0.842531 0.431279 ] [ 0.721063 0.405841 0.850422 ] [ 0.765417 0.595051 0.635831 ] [ 0.234583 0.404949 0.364169 ] [ 0.278937 0.594159 0.149578 ] [ 0.124253 0.157469 0.568721 ] [ 0.653493 0.692551 0.074761 ] [ 0.404018 0.023603 0.705145 ] [ 0.509304 0.266102 0.495367 ] [ 0.56039 0.45627 0.297075 ] [ 0.856884 0.305356 0.439766 ] [ 0.796191 0.114433 0.651212 ] [ 0.27206 0.109997 0.129158 ] [ 0.931621 0.541726 0.210929 ] [ 0.995071 0.76304 0.002289 ] [ 0.632281 0.166585 0.074837 ] [ 0.929782 0.030058 0.198944 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 7.76922014 "source-unit" "angstrom" } "b" { "source-value" 8.255947 "source-unit" "angstrom" } "c" { "source-value" 8.89005316 "source-unit" "angstrom" } "alpha" { "source-value" 103.93882613 "source-unit" "degree" } "beta" { "source-value" 104.98161198 "source-unit" "degree" } "gamma" { "source-value" 104.53701669 "source-unit" "degree" } }