{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.894249 0.14924 0.872771 ] [ 0.444416 0.652458 0.95339 ] [ 0.394249 0.14924 0.627229 ] [ 0.518657 0.736315 0.518248 ] [ 0.798789 0.145403 0.109744 ] [ 0.481343 0.236315 0.481752 ] [ 0.981343 0.236315 0.018248 ] [ 0.701211 0.645403 0.609744 ] [ 0.739524 0.263568 0.973934 ] [ 0.783483 0.562446 0.460292 ] [ 0.216517 0.062446 0.539708 ] [ 0.283483 0.562446 0.039708 ] [ 0.760476 0.763568 0.473934 ] [ 0.201211 0.645403 0.890256 ] [ 0.944416 0.652458 0.54661 ] [ 0.105751 0.64924 0.127229 ] [ 0.260476 0.763568 0.026066 ] [ 0.605751 0.64924 0.372771 ] [ 0.298789 0.145403 0.390256 ] [ 0.555584 0.152458 0.04661 ] [ 0.018657 0.736315 0.981752 ] [ 0.716517 0.062446 0.960292 ] [ 0.239524 0.263568 0.526066 ] [ 0.055584 0.152458 0.45339 ] [ 0.830829 0.855384 0.542553 ] [ 0.930895 0.127587 0.178103 ] [ 0.51664 0.740069 0.881427 ] [ 0.483363 0.04718 0.092411 ] [ 0.370378 0.759936 0.111682 ] [ 0.765241 0.734959 0.682581 ] [ 0.734759 0.234959 0.182581 ] [ 0.81486 0.438681 0.490592 ] [ 0.18514 0.938681 0.509408 ] [ 0.430895 0.127587 0.321897 ] [ 0.358779 0.232951 0.712518 ] [ 0.96164 0.337956 0.090139 ] [ 0.569105 0.627587 0.678103 ] [ 0.629622 0.259936 0.888318 ] [ 0.060967 0.303818 0.936496 ] [ 0.123409 0.194129 0.064016 ] [ 0.345517 0.046183 0.690396 ] [ 0.46164 0.337956 0.409861 ] [ 0.31486 0.438681 0.009408 ] [ 0.169171 0.355384 0.457447 ] [ 0.53836 0.837956 0.590139 ] [ 0.623409 0.194129 0.435984 ] [ 0.569769 0.659078 0.02534 ] [ 0.817822 0.366066 0.922875 ] [ 0.669171 0.355384 0.042553 ] [ 0.947683 0.63181 0.158864 ] [ 0.48336 0.240069 0.118573 ] [ 0.773278 0.539028 0.659005 ] [ 0.68514 0.938681 0.990592 ] [ 0.682178 0.866066 0.422875 ] [ 0.870378 0.759936 0.388318 ] [ 0.016637 0.54718 0.592411 ] [ 0.447683 0.63181 0.341136 ] [ 0.234759 0.234959 0.317419 ] [ 0.129622 0.259936 0.611682 ] [ 0.265241 0.734959 0.817419 ] [ 0.317822 0.366066 0.577125 ] [ 0.388728 0.543823 0.12381 ] [ 0.560967 0.303818 0.563504 ] [ 0.330829 0.855384 0.957447 ] [ 0.858779 0.232951 0.787482 ] [ 0.430231 0.159078 0.97466 ] [ 0.052317 0.13181 0.841136 ] [ 0.01664 0.740069 0.618573 ] [ 0.516637 0.54718 0.907589 ] [ 0.888728 0.543823 0.37619 ] [ 0.141221 0.732951 0.212518 ] [ 0.226722 0.039028 0.340995 ] [ 0.726722 0.039028 0.159005 ] [ 0.273278 0.539028 0.840995 ] [ 0.611272 0.043823 0.87619 ] [ 0.552317 0.13181 0.658864 ] [ 0.439033 0.803818 0.436496 ] [ 0.154483 0.546183 0.190396 ] [ 0.654483 0.546183 0.309604 ] [ 0.939033 0.803818 0.063504 ] [ 0.069769 0.659078 0.47466 ] [ 0.845517 0.046183 0.809604 ] [ 0.641221 0.732951 0.287482 ] [ 0.182178 0.866066 0.077125 ] [ 0.111272 0.043823 0.62381 ] [ 0.069105 0.627587 0.821897 ] [ 0.98336 0.240069 0.381427 ] [ 0.983363 0.04718 0.407589 ] [ 0.930231 0.159078 0.52534 ] [ 0.876591 0.694129 0.935984 ] [ 0.03836 0.837956 0.909861 ] [ 0.376591 0.694129 0.564016 ] [ 0.418069 0.067791 0.497417 ] [ 0.581931 0.567791 0.502583 ] [ 0.081931 0.567791 0.997417 ] [ 0.918069 0.067791 0.002583 ] [ 0.708126 0.167005 0.406114 ] [ 0.94782 0.401086 0.132938 ] [ 0.331898 0.281639 0.764942 ] [ 0.354092 0.433228 0.607621 ] [ 0.628306 0.41812 0.076907 ] [ 0.437465 0.290352 0.163064 ] [ 0.390837 0.849709 0.389498 ] [ 0.645442 0.659364 0.071058 ] [ 0.993103 0.613939 0.777815 ] [ 0.854092 0.433228 0.892379 ] [ 0.668102 0.781639 0.235058 ] [ 0.168102 0.781639 0.264942 ] [ 0.66292 0.861506 0.008684 ] [ 0.699894 0.287443 0.229805 ] [ 0.83708 0.361506 0.508684 ] [ 0.06331 0.481765 0.618699 ] [ 0.56331 0.481765 0.881301 ] [ 0.062535 0.790352 0.663064 ] [ 0.300106 0.787443 0.770195 ] [ 0.800106 0.787443 0.729805 ] [ 0.44782 0.401086 0.367062 ] [ 0.871694 0.91812 0.576907 ] [ 0.371694 0.91812 0.923093 ] [ 0.937465 0.290352 0.336936 ] [ 0.810296 0.474684 0.692625 ] [ 0.85144 0.620049 0.176353 ] [ 0.208126 0.167005 0.093886 ] [ 0.068033 0.261515 0.666829 ] [ 0.826003 0.985014 0.765965 ] [ 0.35144 0.620049 0.323647 ] [ 0.493103 0.613939 0.722185 ] [ 0.145908 0.933228 0.107621 ] [ 0.173997 0.485014 0.234035 ] [ 0.128306 0.41812 0.423093 ] [ 0.046681 0.030592 0.676441 ] [ 0.689704 0.974684 0.192625 ] [ 0.645908 0.933228 0.392379 ] [ 0.354558 0.159364 0.928942 ] [ 0.199894 0.287443 0.270195 ] [ 0.506897 0.113939 0.277815 ] [ 0.791874 0.667005 0.906114 ] [ 0.93669 0.981765 0.381301 ] [ 0.43669 0.981765 0.118699 ] [ 0.55218 0.901086 0.632938 ] [ 0.431967 0.761515 0.166829 ] [ 0.854558 0.159364 0.571058 ] [ 0.953319 0.530593 0.323559 ] [ 0.673997 0.485014 0.265965 ] [ 0.609163 0.349709 0.610502 ] [ 0.831898 0.281639 0.735058 ] [ 0.546681 0.030592 0.823559 ] [ 0.145442 0.659364 0.428942 ] [ 0.562535 0.790352 0.836936 ] [ 0.14856 0.120049 0.823647 ] [ 0.291874 0.667005 0.593886 ] [ 0.006897 0.113939 0.222185 ] [ 0.310296 0.474684 0.807375 ] [ 0.109163 0.349709 0.889498 ] [ 0.64856 0.120049 0.676353 ] [ 0.453319 0.530593 0.176441 ] [ 0.189704 0.974684 0.307375 ] [ 0.931967 0.761515 0.333171 ] [ 0.16292 0.861506 0.491316 ] [ 0.326003 0.985014 0.734035 ] [ 0.890837 0.849709 0.110502 ] [ 0.33708 0.361506 0.991316 ] [ 0.05218 0.901086 0.867062 ] [ 0.568033 0.261515 0.833171 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "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" "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" "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" 11.52231407 "source-unit" "angstrom" } "b" { "source-value" 14.27906533 "source-unit" "angstrom" } "c" { "source-value" 16.70149904 "source-unit" "angstrom" } }