{ "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" [ [ 0.655739 0.98724 0.841139 ] [ 0.342256 0.000221 0.122712 ] [ 0.155054 0.493312 0.840885 ] [ 0.83859 0.82845 0.124217 ] [ 0.156173 0.83827 0.37402 ] [ 0.665279 0.654912 0.872747 ] [ 0.349107 0.670759 0.618943 ] [ 0.663769 0.334651 0.369076 ] [ 0.847253 0.168764 0.618942 ] [ 0.335861 0.340526 0.121517 ] [ 0.155942 0.156651 0.871533 ] [ 0.841005 0.83155 0.628684 ] [ 0.664865 0.663752 0.369849 ] [ 0.167281 0.830789 0.877252 ] [ 0.337252 0.671344 0.117645 ] [ 0.662721 0.328681 0.872597 ] [ 0.339353 0.330506 0.625117 ] [ 0.831734 0.164237 0.122136 ] [ 0.174137 0.173274 0.362114 ] [ 0.747299 0.971322 0.647178 ] [ 0.912337 0.831117 0.916054 ] [ 0.308129 0.956658 0.891188 ] [ 0.791103 0.785944 0.316349 ] [ 0.695212 0.711651 0.666677 ] [ 0.202072 0.799056 0.152262 ] [ 0.081806 0.81071 0.578895 ] [ 0.585663 0.689087 0.076205 ] [ 0.772905 0.527483 0.365351 ] [ 0.428165 0.68532 0.427405 ] [ 0.275445 0.701114 0.827906 ] [ 0.803433 0.452517 0.870548 ] [ 0.227757 0.53696 0.117856 ] [ 0.695689 0.287795 0.163794 ] [ 0.573405 0.302544 0.565091 ] [ 0.260486 0.470136 0.651132 ] [ 0.410457 0.327946 0.920305 ] [ 0.934737 0.194894 0.42229 ] [ 0.765964 0.195155 0.825641 ] [ 0.303281 0.30243 0.321643 ] [ 0.192706 0.211379 0.666021 ] [ 0.71508 0.03028 0.112243 ] [ 0.087224 0.1793 0.086546 ] [ 0.271678 0.03938 0.338891 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.30114146 "source-unit" "angstrom" } "b" { "source-value" 9.0740234 "source-unit" "angstrom" } "c" { "source-value" 10.11159407 "source-unit" "angstrom" } "alpha" { "source-value" 89.49802078 "source-unit" "degree" } "beta" { "source-value" 89.33458252 "source-unit" "degree" } "gamma" { "source-value" 89.57847281 "source-unit" "degree" } }