{ "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" [ [ 0.327324 0.670765 0.109418 ] [ 0.007441 0.001021 0.002706 ] [ 0.007139 0.993626 0.501497 ] [ 0.662488 0.333154 0.606969 ] [ 0.659255 0.822933 0.78297 ] [ 0.156018 0.335765 0.785445 ] [ 0.827263 0.167694 0.28607 ] [ 0.173146 0.835651 0.786427 ] [ 0.829455 0.662107 0.284731 ] [ 0.335477 0.168565 0.284951 ] [ 0.335069 0.664994 0.507807 ] [ 0.667459 0.337005 0.010612 ] [ 0.684943 0.840453 0.394142 ] [ 0.485351 0.519198 0.670734 ] [ 0.334734 0.669304 0.895538 ] [ 0.004925 0.996897 0.686557 ] [ 0.001072 0.994932 0.187843 ] [ 0.159279 0.314069 0.394049 ] [ 0.48082 0.966558 0.669184 ] [ 0.034978 0.52045 0.667825 ] [ 0.845503 0.163737 0.893868 ] [ 0.160482 0.838959 0.390449 ] [ 0.960958 0.483542 0.169891 ] [ 0.513777 0.035479 0.169755 ] [ 0.662771 0.336916 0.393004 ] [ 0.849326 0.686066 0.894306 ] [ 0.51305 0.482955 0.171668 ] [ 0.320799 0.157504 0.893743 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Mn" "Mn" "Mn" "Co" "Co" "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" 5.87055994 "source-unit" "angstrom" } "b" { "source-value" 5.87929716 "source-unit" "angstrom" } "c" { "source-value" 9.72805862 "source-unit" "angstrom" } "alpha" { "source-value" 89.8803282 "source-unit" "degree" } "beta" { "source-value" 90.40658475 "source-unit" "degree" } "gamma" { "source-value" 119.7218907 "source-unit" "degree" } }