{ "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" [ [ 0.593808 0.406455 0.999816 ] [ 0.587887 0.412318 0.501649 ] [ 0.416367 0.986176 0.990783 ] [ 0.41622 0.998831 0.499393 ] [ 0.001134 0.5866 0.992299 ] [ 0.009065 0.588577 0.50582 ] [ 0.246707 0.753765 0.249409 ] [ 0.998446 0.006839 0.003584 ] [ 0.99199 0.001516 0.499989 ] [ 0.764741 0.000666 0.746752 ] [ 0.767456 0.034496 0.23079 ] [ 0.99739 0.235172 0.753186 ] [ 0.988934 0.245987 0.256828 ] [ 0.331441 0.335719 0.73089 ] [ 0.330104 0.329221 0.229023 ] [ 0.672468 0.673238 0.269451 ] [ 0.662608 0.669072 0.768158 ] [ 0.260712 0.740082 0.749172 ] [ 0.304326 0.539017 0.658231 ] [ 0.45888 0.702063 0.840884 ] [ 0.84801 0.202692 0.136128 ] [ 0.091398 0.786283 0.866054 ] [ 0.094255 0.779725 0.383647 ] [ 0.316204 0.527243 0.164622 ] [ 0.784075 0.134448 0.877238 ] [ 0.769342 0.132002 0.392622 ] [ 0.331838 0.328875 0.896188 ] [ 0.336319 0.325702 0.393123 ] [ 0.528688 0.151244 0.667193 ] [ 0.519889 0.154137 0.157478 ] [ 0.162165 0.297999 0.663445 ] [ 0.143915 0.322459 0.166746 ] [ 0.898441 0.871067 0.608474 ] [ 0.916253 0.851961 0.109831 ] [ 0.707706 0.832842 0.836794 ] [ 0.685061 0.855346 0.330211 ] [ 0.124464 0.107077 0.895555 ] [ 0.130917 0.093781 0.391116 ] [ 0.213713 0.910525 0.631398 ] [ 0.22819 0.90389 0.115387 ] [ 0.668293 0.670969 0.602753 ] [ 0.677281 0.658507 0.105641 ] [ 0.472204 0.690731 0.336494 ] [ 0.844104 0.46927 0.831996 ] [ 0.842512 0.476711 0.344163 ] [ 0.864079 0.218705 0.619599 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "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" 8.01448007017 "source-unit" "angstrom" } "b" { "source-value" 8.01619300401 "source-unit" "angstrom" } "c" { "source-value" 9.93049931235 "source-unit" "angstrom" } "alpha" { "source-value" 89.1368912866 "source-unit" "degree" } "beta" { "source-value" 89.4130896945 "source-unit" "degree" } "gamma" { "source-value" 60.6451269357 "source-unit" "degree" } }