{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.51684 0.130498 0.790909 ] [ 0.181786 0.133053 0.624558 ] [ 0.849104 0.134773 0.458547 ] [ 0.515471 0.138633 0.291748 ] [ 0.149068 0.146462 0.124744 ] [ 0.866676 0.156283 0.958637 ] [ 0.159159 0.869132 0.791927 ] [ 0.817733 0.867914 0.624241 ] [ 0.868233 0.481882 0.039839 ] [ 0.481377 0.867898 0.458746 ] [ 0.172295 0.156177 0.874623 ] [ 0.151031 0.864276 0.292381 ] [ 0.848969 0.135724 0.707619 ] [ 0.827705 0.843823 0.125377 ] [ 0.518623 0.132102 0.541254 ] [ 0.182267 0.132086 0.375759 ] [ 0.840841 0.130868 0.208073 ] [ 0.850932 0.853538 0.875256 ] [ 0.484529 0.861367 0.708252 ] [ 0.150896 0.865227 0.541453 ] [ 0.131767 0.518118 0.960161 ] [ 0.818214 0.866947 0.375442 ] [ 0.48316 0.869502 0.209091 ] [ 0.133324 0.843717 0.041363 ] [ 0.501879 0.499037 0.749466 ] [ 0.470455 0.482973 0.874851 ] [ 0.168322 0.499254 0.582665 ] [ 0.163023 0.504588 0.708053 ] [ 0.831678 0.500746 0.417335 ] [ 0.531894 0.768867 0.834763 ] [ 0.162829 0.503367 0.830706 ] [ 0.831986 0.506783 0.540861 ] [ 0.498121 0.500963 0.250534 ] [ 0.197807 0.77033 0.665912 ] [ 0.497604 0.506304 0.375395 ] [ 0.224675 0.476898 0.085584 ] [ 0.860845 0.777504 0.499255 ] [ 0.170609 0.50116 0.208771 ] [ 0.224619 0.805111 0.917173 ] [ 0.775325 0.523102 0.914416 ] [ 0.531689 0.771658 0.332906 ] [ 0.13864 0.230953 0.749419 ] [ 0.865321 0.771108 0.750204 ] [ 0.199247 0.769818 0.166182 ] [ 0.808085 0.229658 0.582221 ] [ 0.529933 0.770543 0.583022 ] [ 0.768999 0.868205 0.999977 ] [ 0.470067 0.229457 0.416978 ] [ 0.191915 0.770342 0.417779 ] [ 0.800753 0.230182 0.833818 ] [ 0.134679 0.228892 0.249796 ] [ 0.86136 0.769047 0.250581 ] [ 0.506688 0.824709 0.957625 ] [ 0.829642 0.500517 0.666764 ] [ 0.468311 0.228342 0.667094 ] [ 0.775381 0.194889 0.082827 ] [ 0.501281 0.833022 0.081396 ] [ 0.829391 0.49884 0.791229 ] [ 0.5 0.5 0.5 ] [ 0.139155 0.222496 0.500745 ] [ 0.498719 0.166978 0.918604 ] [ 0.502396 0.493696 0.624605 ] [ 0.170358 0.499483 0.333236 ] [ 0.802193 0.22967 0.334088 ] [ 0.493312 0.175291 0.042375 ] [ 0.168014 0.493217 0.459139 ] [ 0.837171 0.496633 0.169294 ] [ 0.468106 0.231133 0.165237 ] [ 0.836977 0.495412 0.291947 ] [ 0.5 0.5 0 ] [ 0.231001 0.131795 0.000023 ] [ 0.529545 0.517027 0.125149 ] [ 0.479437 0.490098 0.810874 ] [ 0.137963 0.495619 0.643106 ] [ 0.189907 0.506156 0.771571 ] [ 0.487171 0.842728 0.770513 ] [ 0.820298 0.493697 0.4779 ] [ 0.861409 0.504748 0.606423 ] [ 0.505269 0.859237 0.893655 ] [ 0.15272 0.84723 0.603847 ] [ 0.484224 0.493222 0.31163 ] [ 0.516757 0.505771 0.438889 ] [ 0.162938 0.854522 0.72842 ] [ 0.512004 0.146093 0.855147 ] [ 0.816649 0.850891 0.437419 ] [ 0.129567 0.494364 0.143371 ] [ 0.182682 0.505917 0.272109 ] [ 0.828466 0.854418 0.561857 ] [ 0.155803 0.854627 0.853876 ] [ 0.173979 0.145335 0.687589 ] [ 0.483994 0.850785 0.270613 ] [ 0.846858 0.481525 0.978376 ] [ 0.854357 0.496715 0.10505 ] [ 0.494877 0.85143 0.394794 ] [ 0.184089 0.159773 0.812478 ] [ 0.81915 0.849536 0.687227 ] [ 0.840272 0.148919 0.520945 ] [ 0.145125 0.843619 0.103602 ] [ 0.833395 0.849606 0.812241 ] [ 0.483037 0.47719 0.937934 ] [ 0.159719 0.850266 0.228607 ] [ 0.849578 0.151282 0.645711 ] [ 0.487565 0.84761 0.520543 ] [ 0.503565 0.149911 0.355035 ] [ 0.852153 0.836061 0.93735 ] [ 0.496435 0.850089 0.644965 ] [ 0.83403 0.824249 0.06209 ] [ 0.512435 0.15239 0.479457 ] [ 0.150422 0.848718 0.354289 ] [ 0.840281 0.149734 0.771393 ] [ 0.166605 0.150394 0.187759 ] [ 0.854875 0.156381 0.896398 ] [ 0.159728 0.851081 0.479055 ] [ 0.18085 0.150464 0.312773 ] [ 0.815911 0.840227 0.187522 ] [ 0.505123 0.14857 0.605206 ] [ 0.145643 0.503285 0.89495 ] [ 0.854501 0.162043 0.020942 ] [ 0.516006 0.149215 0.729387 ] [ 0.826021 0.854665 0.312411 ] [ 0.844197 0.145373 0.146124 ] [ 0.494272 0.808362 0.021865 ] [ 0.171534 0.145582 0.438143 ] [ 0.817318 0.494083 0.727891 ] [ 0.870433 0.505636 0.856629 ] [ 0.183351 0.149109 0.562581 ] [ 0.487996 0.853907 0.144853 ] [ 0.505728 0.191638 0.978135 ] [ 0.837062 0.145478 0.27158 ] [ 0.483243 0.494229 0.561111 ] [ 0.515776 0.506778 0.68837 ] [ 0.84728 0.15277 0.396153 ] [ 0.145499 0.837957 0.979058 ] [ 0.494731 0.140763 0.106345 ] [ 0.138591 0.495252 0.393577 ] [ 0.179702 0.506303 0.5221 ] [ 0.512829 0.157272 0.229487 ] [ 0.16597 0.175751 0.93791 ] [ 0.810093 0.493844 0.228429 ] [ 0.862037 0.504381 0.356894 ] [ 0.147847 0.163939 0.06265 ] [ 0.516963 0.52281 0.062066 ] [ 0.520563 0.509902 0.189126 ] [ 0.153142 0.518475 0.021624 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.15993254 "source-unit" "angstrom" } "b" { "source-value" 7.23449821 "source-unit" "angstrom" } "c" { "source-value" 38.46119603 "source-unit" "angstrom" } "alpha" { "source-value" 89.33188992 "source-unit" "degree" } "beta" { "source-value" 88.79359446 "source-unit" "degree" } "gamma" { "source-value" 61.93367616 "source-unit" "degree" } }