{ "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" [ [ 0.706558 0.411456 0.038209 ] [ 0.27531 0.550843 0.216115 ] [ 0.04129 0.082499 0.11994 ] [ 0.94126 0.883472 0.381866 ] [ 0.6086 0.216012 0.298694 ] [ 0.60784 0.216738 0.54875 ] [ 0.275561 0.550032 0.465418 ] [ 0.274445 0.549912 0.715377 ] [ 0.942218 0.883396 0.632091 ] [ 0.941597 0.8831 0.882105 ] [ 0.608517 0.216464 0.798574 ] [ 0.277893 0.556929 0.965427 ] [ 0.981724 0.971948 0.002728 ] [ 0.648449 0.301201 0.169921 ] [ 0.328627 0.649028 0.087753 ] [ 0.311492 0.621708 0.335882 ] [ 0.977192 0.955837 0.252112 ] [ 0.977214 0.953832 0.502685 ] [ 0.643413 0.287442 0.419304 ] [ 0.643807 0.287229 0.669353 ] [ 0.309828 0.620559 0.586052 ] [ 0.311778 0.622572 0.835694 ] [ 0.976745 0.954361 0.752617 ] [ 0.646385 0.29226 0.918558 ] [ 0.62633 0.001785 0.124059 ] [ 0.583928 0.781043 0.020623 ] [ 0.117875 0.869543 0.062369 ] [ 0.53276 0.451169 0.104394 ] [ 0.081073 0.528266 0.145502 ] [ 0.293019 0.337756 0.289729 ] [ 0.049589 0.339469 0.040548 ] [ 0.250025 0.138724 0.187802 ] [ 0.801493 0.216187 0.229024 ] [ 0.219232 0.802277 0.270954 ] [ 0.747723 0.885025 0.312181 ] [ 0.960316 0.670791 0.456482 ] [ 0.705939 0.66355 0.207874 ] [ 0.915898 0.468111 0.354624 ] [ 0.470686 0.551164 0.395903 ] [ 0.885953 0.134249 0.438005 ] [ 0.413802 0.217628 0.479349 ] [ 0.627153 0.004301 0.623155 ] [ 0.377628 0.004587 0.373043 ] [ 0.58182 0.801071 0.521372 ] [ 0.137352 0.884402 0.562778 ] [ 0.552714 0.467592 0.604704 ] [ 0.080307 0.550974 0.646097 ] [ 0.293529 0.337896 0.789721 ] [ 0.04395 0.337758 0.539828 ] [ 0.248382 0.134362 0.68798 ] [ 0.80389 0.217703 0.72941 ] [ 0.219574 0.801148 0.771068 ] [ 0.747031 0.884648 0.812617 ] [ 0.958606 0.67124 0.957896 ] [ 0.71056 0.671159 0.706461 ] [ 0.915377 0.470426 0.854244 ] [ 0.471504 0.552986 0.895592 ] [ 0.887632 0.135539 0.936947 ] [ 0.418721 0.224211 0.978617 ] [ 0.377286 0.005228 0.873022 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" "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" 5.23959616 "source-unit" "angstrom" } "b" { "source-value" 5.58410672 "source-unit" "angstrom" } "c" { "source-value" 25.95779799 "source-unit" "angstrom" } "alpha" { "source-value" 93.00711439 "source-unit" "degree" } "beta" { "source-value" 90.00677816 "source-unit" "degree" } "gamma" { "source-value" 117.91965432 "source-unit" "degree" } }