{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.866998 ] [ 0.333333 0.666667 0.066515 ] [ 0.666667 0.333333 0.933323 ] [ 0.666667 0.333333 0.133055 ] [ 0 0 0.200331 ] [ 0 0 0.399848 ] [ 0.333333 0.666667 0.266656 ] [ 0.333333 0.666667 0.466389 ] [ 0.666667 0.333333 0.533664 ] [ 0.666667 0.333333 0.733181 ] [ 0 0 0.599989 ] [ 0 0 0.799722 ] [ 0.349103 0.5063 0.931276 ] [ 0.218419 0.265522 0.982627 ] [ 0.489608 0.675667 0.998408 ] [ 0.389363 0.445469 0.049991 ] [ 0.14879 0.163563 0.064154 ] [ 0.602076 0.703624 0.086895 ] [ 0.387478 0.275491 0.11599 ] [ 0.350735 0.50798 0.129998 ] [ 0.851187 0.845656 0.132862 ] [ 0.631672 0.561201 0.154363 ] [ 0.550182 0.942321 0.850553 ] [ 0.823945 0.98091 0.864543 ] [ 0.820883 0.339344 0.864915 ] [ 0.102305 0.397728 0.888156 ] [ 0.723947 0.116573 0.916029 ] [ 0.4937 0.842803 0.931276 ] [ 0.987148 0.146106 0.93511 ] [ 0.931659 0.371952 0.954371 ] [ 0.734478 0.952898 0.982627 ] [ 0.681395 0.17486 0.996898 ] [ 0.186059 0.510392 0.998408 ] [ 0.957559 0.220735 0.018267 ] [ 0.554531 0.943895 0.049991 ] [ 0.836437 0.985227 0.064154 ] [ 0.82161 0.338651 0.064718 ] [ 0.101548 0.397924 0.086895 ] [ 0.724509 0.111987 0.11599 ] [ 0.49202 0.842755 0.129998 ] [ 0.994469 0.148813 0.132862 ] [ 0.929529 0.368328 0.154363 ] [ 0.057679 0.60786 0.850553 ] [ 0.01909 0.843035 0.864543 ] [ 0.51846 0.179117 0.864915 ] [ 0.295424 0.897695 0.888156 ] [ 0.883427 0.607373 0.916029 ] [ 0.157197 0.650897 0.931276 ] [ 0.158958 0.012852 0.93511 ] [ 0.440293 0.068341 0.954371 ] [ 0.047102 0.781581 0.982627 ] [ 0.82514 0.506535 0.996898 ] [ 0.324333 0.813941 0.998408 ] [ 0.263175 0.042441 0.018267 ] [ 0.056105 0.610637 0.049991 ] [ 0.014773 0.85121 0.064154 ] [ 0.517041 0.17839 0.064718 ] [ 0.296376 0.898452 0.086895 ] [ 0.888013 0.612522 0.11599 ] [ 0.157245 0.649265 0.129998 ] [ 0.154344 0.005531 0.132862 ] [ 0.438799 0.070471 0.154363 ] [ 0.39214 0.449818 0.850553 ] [ 0.156965 0.176055 0.864543 ] [ 0.660656 0.48154 0.864915 ] [ 0.602272 0.704576 0.888156 ] [ 0.392627 0.276053 0.916029 ] [ 0.853894 0.841042 0.93511 ] [ 0.628048 0.559707 0.954371 ] [ 0.493465 0.318605 0.996898 ] [ 0.779265 0.736825 0.018267 ] [ 0.661349 0.482959 0.064718 ] [ 0.01577 0.839633 0.264609 ] [ 0.885086 0.598855 0.31596 ] [ 0.156275 0.009 0.331741 ] [ 0.05603 0.778802 0.383325 ] [ 0.815457 0.496896 0.397487 ] [ 0.268742 0.036957 0.420228 ] [ 0.054144 0.608824 0.449324 ] [ 0.017402 0.841313 0.463331 ] [ 0.517853 0.17899 0.466196 ] [ 0.298338 0.894534 0.487697 ] [ 0.216848 0.275655 0.183886 ] [ 0.490612 0.314243 0.197877 ] [ 0.48755 0.672677 0.198249 ] [ 0.768971 0.731062 0.221489 ] [ 0.390613 0.449907 0.249363 ] [ 0.160367 0.176137 0.264609 ] [ 0.653815 0.47944 0.268444 ] [ 0.598326 0.705285 0.287704 ] [ 0.401145 0.286231 0.31596 ] [ 0.348062 0.508194 0.330232 ] [ 0.852725 0.843725 0.331741 ] [ 0.624226 0.554068 0.3516 ] [ 0.221198 0.277228 0.383325 ] [ 0.503104 0.318561 0.397487 ] [ 0.488276 0.671984 0.398051 ] [ 0.768214 0.731258 0.420228 ] [ 0.391176 0.44532 0.449324 ] [ 0.158687 0.176089 0.463331 ] [ 0.661136 0.482147 0.466196 ] [ 0.596196 0.701662 0.487697 ] [ 0.724345 0.941194 0.183886 ] [ 0.685757 0.176369 0.197877 ] [ 0.185127 0.51245 0.198249 ] [ 0.96209 0.231029 0.221489 ] [ 0.550093 0.940707 0.249363 ] [ 0.823863 0.98423 0.264609 ] [ 0.825625 0.346185 0.268444 ] [ 0.10696 0.401674 0.287704 ] [ 0.713769 0.114914 0.31596 ] [ 0.491806 0.839868 0.330232 ] [ 0.991 0.147275 0.331741 ] [ 0.929842 0.375774 0.3516 ] [ 0.722772 0.94397 0.383325 ] [ 0.681439 0.184543 0.397487 ] [ 0.183708 0.511724 0.398051 ] [ 0.963043 0.231786 0.420228 ] [ 0.55468 0.945856 0.449324 ] [ 0.823911 0.982598 0.463331 ] [ 0.82101 0.338864 0.466196 ] [ 0.105466 0.403804 0.487697 ] [ 0.058806 0.783152 0.183886 ] [ 0.823631 0.509388 0.197877 ] [ 0.327323 0.814873 0.198249 ] [ 0.268938 0.03791 0.221489 ] [ 0.059293 0.609387 0.249363 ] [ 0.52056 0.174375 0.268444 ] [ 0.294715 0.89304 0.287704 ] [ 0.160132 0.651938 0.330232 ] [ 0.445932 0.070158 0.3516 ] [ 0.328016 0.816292 0.398051 ] [ 0.682436 0.172966 0.597943 ] [ 0.551753 0.932188 0.649294 ] [ 0.822942 0.342333 0.665075 ] [ 0.722696 0.112135 0.716658 ] [ 0.482123 0.830229 0.73082 ] [ 0.935409 0.37029 0.753562 ] [ 0.720811 0.942157 0.782657 ] [ 0.684069 0.174647 0.796664 ] [ 0.18452 0.512323 0.799529 ] [ 0.965005 0.227868 0.82103 ] [ 0.883515 0.608988 0.51722 ] [ 0.157279 0.647577 0.53121 ] [ 0.154217 0.00601 0.531582 ] [ 0.435638 0.064395 0.554823 ] [ 0.05728 0.78324 0.582696 ] [ 0.827034 0.50947 0.597943 ] [ 0.320482 0.812773 0.601777 ] [ 0.264992 0.038619 0.621038 ] [ 0.067812 0.619564 0.649294 ] [ 0.014729 0.841527 0.663565 ] [ 0.519392 0.177058 0.665075 ] [ 0.290893 0.887401 0.684933 ] [ 0.887865 0.610561 0.716658 ] [ 0.169771 0.651894 0.73082 ] [ 0.154943 0.005317 0.731385 ] [ 0.434881 0.064591 0.753562 ] [ 0.057843 0.778654 0.782657 ] [ 0.825353 0.509422 0.796664 ] [ 0.327803 0.81548 0.799529 ] [ 0.262863 0.034995 0.82103 ] [ 0.391012 0.274527 0.51722 ] [ 0.352423 0.509702 0.53121 ] [ 0.851794 0.845783 0.531582 ] [ 0.628757 0.564362 0.554823 ] [ 0.21676 0.27404 0.582696 ] [ 0.49053 0.317564 0.597943 ] [ 0.492291 0.679518 0.601777 ] [ 0.773626 0.735008 0.621038 ] [ 0.380436 0.448247 0.649294 ] [ 0.158473 0.173202 0.663565 ] [ 0.657667 0.480608 0.665075 ] [ 0.596509 0.709107 0.684933 ] [ 0.389439 0.277304 0.716658 ] [ 0.348106 0.517877 0.73082 ] [ 0.850374 0.845057 0.731385 ] [ 0.62971 0.565119 0.753562 ] [ 0.221346 0.279189 0.782657 ] [ 0.490578 0.315931 0.796664 ] [ 0.487677 0.672197 0.799529 ] [ 0.772132 0.737137 0.82103 ] [ 0.725473 0.116485 0.51722 ] [ 0.490298 0.842721 0.53121 ] [ 0.99399 0.148206 0.531582 ] [ 0.935605 0.371243 0.554823 ] [ 0.72596 0.94272 0.582696 ] [ 0.187227 0.507709 0.601777 ] [ 0.961381 0.226374 0.621038 ] [ 0.826798 0.985271 0.663565 ] [ 0.112599 0.403491 0.684933 ] [ 0.994683 0.149626 0.731385 ] [ 0 0 0.054431 ] [ 0 0 0.123067 ] [ 0.458594 0.730029 0.854253 ] [ 0.271435 0.541406 0.854253 ] [ 0.333333 0.666667 0.904482 ] [ 0.492528 0.627032 0.950423 ] [ 0.672633 0.705429 0.982138 ] [ 0.287486 0.452542 0.98524 ] [ 0.333333 0.666667 0.987394 ] [ 0.75159 0.875735 0.024862 ] [ 0.124145 0.24841 0.024862 ] [ 0.627166 0.632861 0.048737 ] [ 0.458677 0.729829 0.054061 ] [ 0.271152 0.541323 0.054061 ] [ 0.285759 0.332961 0.081726 ] [ 0.80033 0.839244 0.084597 ] [ 0.465744 0.534998 0.092982 ] [ 0.333333 0.666667 0.104104 ] [ 0.69974 0.658044 0.115874 ] [ 0.210883 0.16495 0.119316 ] [ 0.381222 0.380924 0.147657 ] [ 0.492065 0.627757 0.150462 ] [ 0.00845 0.37406 0.849231 ] [ 0.620473 0.120026 0.85287 ] [ 0.666667 0.333333 0.854278 ] [ 0.665067 0.950597 0.881416 ] [ 0.037889 0.199885 0.883928 ] [ 0.068697 0.533973 0.893446 ] [ 0.465276 0.931303 0.893446 ] [ 0.956765 0.29988 0.916203 ] [ 0.831444 0.046414 0.918547 ] [ 0.791864 0.39632 0.920796 ] [ 0.604456 0.208136 0.920796 ] [ 0.620642 0.003389 0.947941 ] [ 0.134503 0.507472 0.950423 ] [ 0.795063 0.204994 0.959004 ] [ 0.666667 0.333333 0.970978 ] [ 0.032796 0.327367 0.982138 ] [ 0.547458 0.834944 0.98524 ] [ 0.909495 0.090113 0.98185 ] [ 0.713111 0.048332 0.014742 ] [ 0.825296 0.293711 0.016383 ] [ 0.005694 0.372834 0.048737 ] [ 0.620175 0.120754 0.052477 ] [ 0.666667 0.333333 0.053615 ] [ 0.667039 0.952798 0.081726 ] [ 0.038915 0.19967 0.084597 ] [ 0.069254 0.534256 0.092982 ] [ 0.465002 0.930746 0.092982 ] [ 0.958304 0.30026 0.115874 ] [ 0.83505 0.045933 0.119316 ] [ 0.792036 0.394541 0.12078 ] [ 0.602505 0.207964 0.12078 ] [ 0.619076 0.000298 0.147657 ] [ 0.135692 0.507935 0.150462 ] [ 0.79848 0.200203 0.15954 ] [ 0 0 0.837565 ] [ 0.36561 0.99155 0.849231 ] [ 0.879974 0.500448 0.85287 ] [ 0.269971 0.728565 0.854253 ] [ 0.049403 0.71447 0.881416 ] [ 0.161996 0.962111 0.883928 ] [ 0.343115 0.043235 0.916203 ] [ 0.953586 0.785031 0.918547 ] [ 0 0 0.925372 ] [ 0.996611 0.617253 0.947941 ] [ 0.372968 0.865497 0.950423 ] [ 0.40993 0.204937 0.959004 ] [ 0.795006 0.59007 0.959004 ] [ 0.294571 0.967204 0.982138 ] [ 0.165056 0.712514 0.98524 ] [ 0.180617 0.090505 0.98185 ] [ 0.909887 0.819383 0.98185 ] [ 0.951668 0.664779 0.014742 ] [ 0.468415 0.174704 0.016383 ] [ 0.124265 0.875855 0.024862 ] [ 0.367139 0.994306 0.048737 ] [ 0.879246 0.499421 0.052477 ] [ 0.270171 0.728848 0.054061 ] [ 0.047202 0.714241 0.081726 ] [ 0.160756 0.961085 0.084597 ] [ 0.341956 0.041696 0.115874 ] [ 0.954067 0.789117 0.119316 ] [ 0.999702 0.618778 0.147657 ] [ 0.372243 0.864308 0.150462 ] [ 0.401723 0.20152 0.15954 ] [ 0.799797 0.598277 0.15954 ] [ 0.62594 0.63439 0.849231 ] [ 0.499552 0.379527 0.85287 ] [ 0.28553 0.334933 0.881416 ] [ 0.800115 0.838004 0.883928 ] [ 0.466027 0.534724 0.893446 ] [ 0.70012 0.656885 0.916203 ] [ 0.214969 0.168556 0.918547 ] [ 0.60368 0.395544 0.920796 ] [ 0.382747 0.379358 0.947941 ] [ 0.335221 0.286889 0.014742 ] [ 0.706289 0.531585 0.016383 ] [ 0.500579 0.379825 0.052477 ] [ 0.605459 0.397495 0.12078 ] [ 0.666667 0.333333 0.387765 ] [ 0.666667 0.333333 0.456401 ] [ 0.125261 0.063362 0.187587 ] [ 0.938102 0.874739 0.187587 ] [ 0 0 0.237816 ] [ 0.159195 0.960365 0.283756 ] [ 0.339299 0.038762 0.315471 ] [ 0.954152 0.785875 0.318574 ] [ 0 0 0.320728 ] [ 0.418257 0.209068 0.358195 ] [ 0.790811 0.581743 0.358195 ] [ 0.293833 0.966194 0.38207 ] [ 0.125343 0.063162 0.387394 ] [ 0.937818 0.874657 0.387394 ] [ 0.952426 0.666294 0.415059 ] [ 0.466996 0.172578 0.417931 ] [ 0.132411 0.868332 0.426315 ] [ 0 0 0.437437 ] [ 0.366407 0.991378 0.449207 ] [ 0.87755 0.498283 0.452649 ] [ 0.047888 0.714257 0.480991 ] [ 0.158732 0.96109 0.483796 ] [ 0.675116 0.707393 0.182564 ] [ 0.28714 0.453359 0.186204 ] [ 0.333333 0.666667 0.187612 ] [ 0.331733 0.28393 0.21475 ] [ 0.704556 0.533218 0.217261 ] [ 0.735363 0.867306 0.22678 ] [ 0.131943 0.264637 0.22678 ] [ 0.623431 0.633213 0.249537 ] [ 0.498111 0.379747 0.25188 ] [ 0.45853 0.729653 0.254129 ] [ 0.271123 0.54147 0.254129 ] [ 0.287309 0.336722 0.281274 ] [ 0.80117 0.840805 0.283756 ] [ 0.46173 0.538327 0.292338 ] [ 0.333333 0.666667 0.304311 ] [ 0.699463 0.660701 0.315471 ] [ 0.214125 0.168277 0.318574 ] [ 0.576162 0.423446 0.315183 ] [ 0.379778 0.381665 0.348075 ] [ 0.491962 0.627044 0.349716 ] [ 0.672361 0.706167 0.38207 ] [ 0.286842 0.454088 0.38581 ] [ 0.333333 0.666667 0.386948 ] [ 0.333706 0.286132 0.415059 ] [ 0.705582 0.533004 0.417931 ] [ 0.735921 0.867589 0.426315 ] [ 0.131668 0.264079 0.426315 ] [ 0.624971 0.633593 0.449207 ] [ 0.501717 0.379267 0.452649 ] [ 0.458702 0.727874 0.454113 ] [ 0.269172 0.541298 0.454113 ] [ 0.285743 0.333631 0.480991 ] [ 0.802359 0.841268 0.483796 ] [ 0.465146 0.533536 0.492873 ] [ 0.666667 0.333333 0.170898 ] [ 0.032277 0.324884 0.182564 ] [ 0.546641 0.833781 0.186204 ] [ 0.936638 0.061898 0.187587 ] [ 0.71607 0.047803 0.21475 ] [ 0.828663 0.295444 0.217261 ] [ 0.009782 0.376569 0.249537 ] [ 0.620253 0.118364 0.25188 ] [ 0.666667 0.333333 0.258705 ] [ 0.663278 0.950587 0.281274 ] [ 0.039635 0.19883 0.283756 ] [ 0.076597 0.53827 0.292338 ] [ 0.461673 0.923403 0.292338 ] [ 0.961238 0.300537 0.315471 ] [ 0.831723 0.045848 0.318574 ] [ 0.847284 0.423838 0.315183 ] [ 0.576554 0.152716 0.315183 ] [ 0.618335 0.998112 0.348075 ] [ 0.135082 0.508038 0.349716 ] [ 0.790932 0.209189 0.358195 ] [ 0.033806 0.327639 0.38207 ] [ 0.545912 0.832754 0.38581 ] [ 0.936838 0.062182 0.387394 ] [ 0.713868 0.047574 0.415059 ] [ 0.827422 0.294418 0.417931 ] [ 0.008622 0.375029 0.449207 ] [ 0.620733 0.12245 0.452649 ] [ 0.666369 0.952112 0.480991 ] [ 0.03891 0.197641 0.483796 ] [ 0.06839 0.534854 0.492873 ] [ 0.466464 0.93161 0.492873 ] [ 0.292607 0.967723 0.182564 ] [ 0.166219 0.71286 0.186204 ] [ 0.952197 0.668267 0.21475 ] [ 0.466782 0.171337 0.217261 ] [ 0.132694 0.868057 0.22678 ] [ 0.366787 0.990218 0.249537 ] [ 0.881636 0.501889 0.25188 ] [ 0.270347 0.728877 0.254129 ] [ 0.049413 0.712691 0.281274 ] [ 0.001888 0.620222 0.348075 ] [ 0.372956 0.864918 0.349716 ] [ 0.167246 0.713158 0.38581 ] [ 0.272126 0.730828 0.454113 ] [ 0.333333 0.666667 0.721098 ] [ 0.333333 0.666667 0.789734 ] [ 0.791927 0.396696 0.52092 ] [ 0.604768 0.208073 0.52092 ] [ 0.666667 0.333333 0.571149 ] [ 0.825862 0.293699 0.617089 ] [ 0.005966 0.372095 0.648804 ] [ 0.620819 0.119209 0.651907 ] [ 0.666667 0.333333 0.654061 ] [ 0.084923 0.542401 0.691528 ] [ 0.457478 0.915077 0.691528 ] [ 0.9605 0.299527 0.715404 ] [ 0.79201 0.396495 0.720728 ] [ 0.604485 0.20799 0.720728 ] [ 0.619093 0.999627 0.748393 ] [ 0.133663 0.505911 0.751264 ] [ 0.799078 0.201665 0.759649 ] [ 0.666667 0.333333 0.77077 ] [ 0.033074 0.324711 0.78254 ] [ 0.544217 0.831617 0.785983 ] [ 0.714555 0.04759 0.814324 ] [ 0.825398 0.294424 0.817129 ] [ 0.341783 0.040727 0.515897 ] [ 0.953807 0.786692 0.519537 ] [ 0 0 0.520945 ] [ 0.9984 0.617264 0.548083 ] [ 0.371222 0.866552 0.550594 ] [ 0.40203 0.20064 0.560113 ] [ 0.79861 0.59797 0.560113 ] [ 0.290098 0.966546 0.58287 ] [ 0.164778 0.71308 0.585213 ] [ 0.125197 0.062987 0.587463 ] [ 0.93779 0.874803 0.587463 ] [ 0.953976 0.670056 0.614608 ] [ 0.467837 0.174138 0.617089 ] [ 0.128397 0.87166 0.625671 ] [ 0 0 0.637645 ] [ 0.366129 0.994034 0.648804 ] [ 0.880791 0.50161 0.651907 ] [ 0.242829 0.756779 0.648517 ] [ 0.046444 0.714999 0.681408 ] [ 0.158629 0.960378 0.68305 ] [ 0.339027 0.0395 0.715404 ] [ 0.953508 0.787421 0.719144 ] [ 0 0 0.720282 ] [ 0.000373 0.619465 0.748393 ] [ 0.372248 0.866337 0.751264 ] [ 0.402588 0.200922 0.759649 ] [ 0.798335 0.597412 0.759649 ] [ 0.291637 0.966926 0.78254 ] [ 0.168383 0.7126 0.785983 ] [ 0.125369 0.061208 0.787446 ] [ 0.935838 0.874631 0.787446 ] [ 0.95241 0.666965 0.814324 ] [ 0.469025 0.174602 0.817129 ] [ 0.131813 0.866869 0.826206 ] [ 0.333333 0.666667 0.504231 ] [ 0.698944 0.658217 0.515897 ] [ 0.213308 0.167114 0.519537 ] [ 0.603304 0.395232 0.52092 ] [ 0.382736 0.381136 0.548083 ] [ 0.495329 0.628778 0.550594 ] [ 0.676448 0.709902 0.58287 ] [ 0.28692 0.451697 0.585213 ] [ 0.333333 0.666667 0.592039 ] [ 0.329944 0.28392 0.614608 ] [ 0.706301 0.532163 0.617089 ] [ 0.743264 0.871603 0.625671 ] [ 0.12834 0.256736 0.625671 ] [ 0.627905 0.633871 0.648804 ] [ 0.49839 0.379181 0.651907 ] [ 0.513951 0.757171 0.648517 ] [ 0.243221 0.486049 0.648517 ] [ 0.285001 0.331446 0.681408 ] [ 0.801748 0.841371 0.68305 ] [ 0.457599 0.542522 0.691528 ] [ 0.700473 0.660973 0.715404 ] [ 0.212579 0.166087 0.719144 ] [ 0.603505 0.395515 0.720728 ] [ 0.380535 0.380907 0.748393 ] [ 0.494089 0.627752 0.751264 ] [ 0.675289 0.708363 0.78254 ] [ 0.2874 0.455783 0.785983 ] [ 0.333035 0.285445 0.814324 ] [ 0.705576 0.530975 0.817129 ] [ 0.735056 0.868187 0.826206 ] [ 0.133131 0.264944 0.826206 ] [ 0.959273 0.301056 0.515897 ] [ 0.832886 0.046193 0.519537 ] [ 0.618864 0.0016 0.548083 ] [ 0.133448 0.504671 0.550594 ] [ 0.79936 0.20139 0.560113 ] [ 0.033454 0.323552 0.58287 ] [ 0.548303 0.835222 0.585213 ] [ 0.937013 0.06221 0.587463 ] [ 0.71608 0.046024 0.614608 ] [ 0.668554 0.953556 0.681408 ] [ 0.039622 0.198252 0.68305 ] [ 0.833913 0.046492 0.719144 ] [ 0.938792 0.064162 0.787446 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" "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" "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" "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" "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" 14.49167004 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }