{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.201437 0.141583 0.93214 ] [ 0.858357 0.852748 0.732533 ] [ 0.201437 0.858417 0.43214 ] [ 0.833459 0.709498 0.448445 ] [ 0.833459 0.290502 0.948445 ] [ 0.977181 0.651987 0.960818 ] [ 0 0.812085 0.25 ] [ 0.022819 0.651987 0.539182 ] [ 0.141643 0.852748 0.767467 ] [ 0.858357 0.147252 0.232533 ] [ 0.977181 0.348013 0.460818 ] [ 0 0.187915 0.75 ] [ 0.022819 0.348013 0.039182 ] [ 0.166541 0.709498 0.051555 ] [ 0.166541 0.290502 0.551555 ] [ 0.798563 0.141583 0.56786 ] [ 0.141643 0.147252 0.267467 ] [ 0.798563 0.858417 0.06786 ] [ 0.701437 0.641583 0.93214 ] [ 0.358357 0.352748 0.732533 ] [ 0.701437 0.358417 0.43214 ] [ 0.333459 0.209498 0.448445 ] [ 0.333459 0.790502 0.948445 ] [ 0.477181 0.151987 0.960818 ] [ 0.5 0.312085 0.25 ] [ 0.522819 0.151987 0.539182 ] [ 0.641643 0.352748 0.767467 ] [ 0.358357 0.647252 0.232533 ] [ 0.477181 0.848013 0.460818 ] [ 0.5 0.687915 0.75 ] [ 0.522819 0.848013 0.039182 ] [ 0.666541 0.209498 0.051555 ] [ 0.666541 0.790502 0.551555 ] [ 0.298563 0.641583 0.56786 ] [ 0.641643 0.647252 0.267467 ] [ 0.298563 0.358417 0.06786 ] [ 0 0 0.5 ] [ 0.336813 0.997896 0.704348 ] [ 0 0 0 ] [ 0.336813 0.002104 0.204348 ] [ 0.663187 0.997896 0.795652 ] [ 0.663187 0.002104 0.295652 ] [ 0.5 0.5 0.5 ] [ 0.836813 0.497896 0.704348 ] [ 0.5 0.5 0 ] [ 0.836813 0.502104 0.204348 ] [ 0.163187 0.497896 0.795652 ] [ 0.163187 0.502104 0.295652 ] [ 0.072428 0.00845 0.665467 ] [ 0.072428 0.99155 0.165467 ] [ 0.270172 0.161012 0.610451 ] [ 0.261249 0.154849 0.107494 ] [ 0.24772 0.978608 0.837107 ] [ 0.24772 0.021392 0.337107 ] [ 0.923654 0.837819 0.563875 ] [ 0.261249 0.845151 0.607494 ] [ 0.898582 0.658364 0.804643 ] [ 0.928168 0.833951 0.065468 ] [ 0.270172 0.838988 0.110451 ] [ 0.905523 0.659729 0.302874 ] [ 0.42092 0.008908 0.566723 ] [ 0.076346 0.837819 0.936125 ] [ 0.905523 0.340271 0.802874 ] [ 0.42092 0.991092 0.066723 ] [ 0.071832 0.833951 0.434532 ] [ 0.898582 0.341636 0.304643 ] [ 0.101418 0.658364 0.695357 ] [ 0.928168 0.166049 0.565468 ] [ 0.57908 0.008908 0.933277 ] [ 0.094477 0.659729 0.197126 ] [ 0.923654 0.162181 0.063875 ] [ 0.57908 0.991092 0.433277 ] [ 0.094477 0.340271 0.697126 ] [ 0.729828 0.161012 0.889549 ] [ 0.071832 0.166049 0.934532 ] [ 0.101418 0.341636 0.195357 ] [ 0.738751 0.154849 0.392506 ] [ 0.076346 0.162181 0.436125 ] [ 0.75228 0.978608 0.662893 ] [ 0.75228 0.021392 0.162893 ] [ 0.738751 0.845151 0.892506 ] [ 0.729828 0.838988 0.389549 ] [ 0.927572 0.00845 0.834533 ] [ 0.927572 0.99155 0.334533 ] [ 0.572428 0.50845 0.665467 ] [ 0.572428 0.49155 0.165467 ] [ 0.770172 0.661012 0.610451 ] [ 0.761249 0.654849 0.107494 ] [ 0.74772 0.478608 0.837107 ] [ 0.74772 0.521392 0.337107 ] [ 0.423654 0.337819 0.563875 ] [ 0.761249 0.345151 0.607494 ] [ 0.398582 0.158364 0.804643 ] [ 0.428168 0.333951 0.065468 ] [ 0.770172 0.338988 0.110451 ] [ 0.405523 0.159729 0.302874 ] [ 0.92092 0.508908 0.566723 ] [ 0.576346 0.337819 0.936125 ] [ 0.405523 0.840271 0.802874 ] [ 0.92092 0.491092 0.066723 ] [ 0.571832 0.333951 0.434532 ] [ 0.398582 0.841636 0.304643 ] [ 0.601418 0.158364 0.695357 ] [ 0.428168 0.666049 0.565468 ] [ 0.07908 0.508908 0.933277 ] [ 0.594477 0.159729 0.197126 ] [ 0.423654 0.662181 0.063875 ] [ 0.07908 0.491092 0.433277 ] [ 0.594477 0.840271 0.697126 ] [ 0.229828 0.661012 0.889549 ] [ 0.571832 0.666049 0.934532 ] [ 0.601418 0.841636 0.195357 ] [ 0.238751 0.654849 0.392506 ] [ 0.576346 0.662181 0.436125 ] [ 0.25228 0.478608 0.662893 ] [ 0.25228 0.521392 0.162893 ] [ 0.238751 0.345151 0.892506 ] [ 0.229828 0.338988 0.389549 ] [ 0.427572 0.50845 0.834533 ] [ 0.427572 0.49155 0.334533 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.54344371 "source-unit" "angstrom" } "b" { "source-value" 8.65956034 "source-unit" "angstrom" } "c" { "source-value" 10.10373598 "source-unit" "angstrom" } "beta" { "source-value" 94.4430263 "source-unit" "degree" } }