{ "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" [ [ 0.785841 0.138012 0.163204 ] [ 0.138807 0.212516 0.1574 ] [ 0.074434 0.697662 0.894968 ] [ 0.032021 0.68498 0.72304 ] [ 0.377149 0.302349 0.603767 ] [ 0.650744 0.683428 0.222893 ] [ 0.927022 0.302339 0.105516 ] [ 0.862198 0.787664 0.843016 ] [ 0.072551 0.211372 0.654666 ] [ 0.213954 0.862167 0.837435 ] [ 0.92661 0.78779 0.342744 ] [ 0.622376 0.696751 0.394257 ] [ 0.345501 0.316442 0.775997 ] [ 0.646916 0.861255 0.337334 ] [ 0.968199 0.315668 0.277587 ] [ 0.351561 0.138379 0.661856 ] [ 0.844098 0.621237 0.646632 ] [ 0.222097 0.380207 0.852943 ] [ 0.502957 0.567456 0.232648 ] [ 0.080884 0.909146 0.385013 ] [ 0.935584 0.431377 0.267 ] [ 0.925793 0.270142 0.717204 ] [ 0.394413 0.883598 0.769443 ] [ 0.606471 0.11436 0.231621 ] [ 0.356027 0.86448 0.927109 ] [ 0.907325 0.251243 0.988728 ] [ 0.493299 0.431831 0.76478 ] [ 0.773039 0.618333 0.147121 ] [ 0.069829 0.419361 0.09645 ] [ 0.811122 0.311218 0.35913 ] [ 0.090881 0.747866 0.011955 ] [ 0.77796 0.742894 0.936437 ] [ 0.827437 0.908305 0.886569 ] [ 0.507854 0.865212 0.427471 ] [ 0.766071 0.990223 0.384911 ] [ 0.60776 0.3467 0.600096 ] [ 0.064665 0.569188 0.733639 ] [ 0.965485 0.744783 0.437518 ] [ 0.655707 0.728912 0.78098 ] [ 0.177181 0.092163 0.115423 ] [ 0.742386 0.347416 0.100199 ] [ 0.653046 0.74728 0.511069 ] [ 0.260113 0.652996 0.899679 ] [ 0.487926 0.883466 0.269682 ] [ 0.779672 0.009534 0.115407 ] [ 0.073307 0.727331 0.281044 ] [ 0.508533 0.115227 0.729728 ] [ 0.498145 0.309254 0.856266 ] [ 0.348487 0.419061 0.595379 ] [ 0.155123 0.381038 0.353941 ] [ 0.191595 0.692366 0.642534 ] [ 0.346677 0.250903 0.486886 ] [ 0.651599 0.580682 0.402789 ] [ 0.497312 0.689081 0.141796 ] [ 0.227559 0.010399 0.613468 ] [ 0.22055 0.990682 0.886056 ] [ 0.929273 0.580532 0.902147 ] [ 0.915404 0.090502 0.614042 ] [ 0.644535 0.135675 0.072942 ] [ 0.222906 0.257535 0.0638 ] [ 0.031715 0.255317 0.56073 ] [ 0.345163 0.272835 0.219352 ] [ 0.491817 0.135893 0.572342 ] [ 0.392759 0.649751 0.397425 ] [ 0.832755 0.837743 0.230658 ] [ 0.005086 0.839837 0.73106 ] [ 0.164184 0.161804 0.768055 ] [ 0.996115 0.16094 0.26912 ] [ 0.913288 0.503674 0.26795 ] [ 0.821097 0.016257 0.593139 ] [ 0.628657 0.375417 0.099485 ] [ 0.896749 0.21777 0.91771 ] [ 0.497547 0.102316 0.273587 ] [ 0.838469 0.508806 0.904921 ] [ 0.171038 0.984553 0.408216 ] [ 0.423079 0.876806 0.481721 ] [ 0.669136 0.508705 0.406066 ] [ 0.450973 0.87463 0.981572 ] [ 0.841639 0.068128 0.413492 ] [ 0.087226 0.496995 0.732984 ] [ 0.324331 0.216497 0.415875 ] [ 0.713638 0.720363 0.992973 ] [ 0.16023 0.689103 0.242711 ] [ 0.270123 0.418937 0.399967 ] [ 0.837828 0.30589 0.757169 ] [ 0.141862 0.415647 0.898638 ] [ 0.294131 0.70021 0.596934 ] [ 0.19885 0.018379 0.093093 ] [ 0.157494 0.491247 0.0919 ] [ 0.98956 0.278627 0.50485 ] [ 0.328912 0.490669 0.592402 ] [ 0.592397 0.301027 0.902025 ] [ 0.09706 0.781222 0.082959 ] [ 0.219725 0.067856 0.916146 ] [ 0.469976 0.309952 0.258009 ] [ 0.14831 0.933528 0.583663 ] [ 0.502803 0.893844 0.727061 ] [ 0.409889 0.494714 0.231489 ] [ 0.60657 0.103447 0.771251 ] [ 0.576535 0.124969 0.517909 ] [ 0.810165 0.983176 0.909813 ] [ 0.710449 0.305734 0.405907 ] [ 0.530755 0.692962 0.742122 ] [ 0.588189 0.503694 0.76484 ] [ 0.728058 0.585328 0.600994 ] [ 0.25094 0.620989 0.396769 ] [ 0.401704 0.695739 0.096013 ] [ 0.004869 0.722118 0.494454 ] [ 0.287576 0.281416 0.007962 ] [ 0.850815 0.580568 0.101483 ] [ 0.74988 0.373387 0.600818 ] [ 0.549789 0.124456 0.018059 ] [ 0.390495 0.895153 0.227776 ] [ 0.374698 0.62574 0.90016 ] [ 0.675595 0.780436 0.582208 ] [ 0.779537 0.932068 0.086524 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "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" "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" 8.51497409 "source-unit" "angstrom" } "b" { "source-value" 15.25601048 "source-unit" "angstrom" } "c" { "source-value" 16.66958253 "source-unit" "angstrom" } "alpha" { "source-value" 104.24304885 "source-unit" "degree" } "beta" { "source-value" 90.03854257 "source-unit" "degree" } "gamma" { "source-value" 106.17603565 "source-unit" "degree" } }