{ "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" [ [ 0.003819 0.400306 0.942931 ] [ 0.477673 0.286547 0.932308 ] [ 0.200553 0.736952 0.856014 ] [ 0.717698 0.597397 0.378231 ] [ 0.799447 0.263048 0.143986 ] [ 0.522327 0.713453 0.067692 ] [ 0.996181 0.599694 0.057069 ] [ 0.209484 0.014495 0.286975 ] [ 0.784453 0.53664 0.702995 ] [ 0.281655 0.881504 0.608216 ] [ 0.282302 0.402603 0.621769 ] [ 0.790516 0.985505 0.713025 ] [ 0.215547 0.46336 0.297005 ] [ 0.718345 0.118496 0.391784 ] [ 0.970129 0.288336 0.37349 ] [ 0.029871 0.711664 0.62651 ] [ 0.208313 0.593626 0.617978 ] [ 0.133123 0.190752 0.316302 ] [ 0.035888 0.439928 0.330038 ] [ 0.993668 0.742779 0.522022 ] [ 0.791687 0.406374 0.382022 ] [ 0.964112 0.560072 0.669962 ] [ 0.103247 0.857427 0.624192 ] [ 0.866877 0.809248 0.683698 ] [ 0.896753 0.142573 0.375808 ] [ 0.006332 0.257221 0.477978 ] [ 0.227359 0.988047 0.695796 ] [ 0.361825 0.719314 0.145728 ] [ 0.611317 0.806255 0.125736 ] [ 0.9346 0.968067 0.77995 ] [ 0.145379 0.391974 0.559619 ] [ 0.294169 0.086514 0.184343 ] [ 0.340683 0.740622 0.705308 ] [ 0.293491 0.84661 0.261565 ] [ 0.183534 0.571442 0.382149 ] [ 0.864653 0.387815 0.784752 ] [ 0.348739 0.766438 0.52619 ] [ 0.617514 0.504392 0.733218 ] [ 0.854621 0.608026 0.440381 ] [ 0.808331 0.341916 0.01667 ] [ 0.426375 0.878984 0.012027 ] [ 0.901181 0.324591 0.233181 ] [ 0.641254 0.001182 0.653864 ] [ 0.300447 0.314317 0.375872 ] [ 0.053733 0.285986 0.053106 ] [ 0.650018 0.410374 0.15094 ] [ 0.747843 0.631087 0.797308 ] [ 0.252157 0.368913 0.202692 ] [ 0.619072 0.558951 0.484232 ] [ 0.635093 0.776666 0.380048 ] [ 0.337432 0.292293 0.02773 ] [ 0.160424 0.457337 0.8946 ] [ 0.638175 0.280686 0.854272 ] [ 0.444866 0.626763 0.999936 ] [ 0.098819 0.675409 0.766819 ] [ 0.224709 0.02948 0.522823 ] [ 0.775291 0.97052 0.477177 ] [ 0.193108 0.359398 0.731028 ] [ 0.871174 0.067502 0.611637 ] [ 0.573625 0.121016 0.987973 ] [ 0.307201 0.844952 0.868986 ] [ 0.548882 0.091819 0.40194 ] [ 0.964446 0.80476 0.285539 ] [ 0.575844 0.592333 0.319056 ] [ 0.424156 0.407667 0.680944 ] [ 0.555134 0.373237 0.000064 ] [ 0.0654 0.031933 0.22005 ] [ 0.128826 0.932498 0.388363 ] [ 0.946267 0.714014 0.946894 ] [ 0.659317 0.259378 0.294692 ] [ 0.772641 0.011953 0.304204 ] [ 0.364907 0.223334 0.619952 ] [ 0.358746 0.998818 0.346136 ] [ 0.662568 0.707707 0.97227 ] [ 0.651261 0.233562 0.47381 ] [ 0.191669 0.658084 0.98333 ] [ 0.699553 0.685683 0.624128 ] [ 0.035554 0.19524 0.714461 ] [ 0.816466 0.428558 0.617851 ] [ 0.839576 0.542663 0.1054 ] [ 0.349982 0.589626 0.84906 ] [ 0.388683 0.193745 0.874264 ] [ 0.135347 0.612185 0.215248 ] [ 0.380928 0.441049 0.515768 ] [ 0.705831 0.913486 0.815657 ] [ 0.451118 0.908181 0.59806 ] [ 0.806892 0.640602 0.268972 ] [ 0.692799 0.155048 0.131014 ] [ 0.706509 0.15339 0.738435 ] [ 0.382486 0.495608 0.266782 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Os" "Os" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.4883169529 "source-unit" "angstrom" } "b" { "source-value" 10.7710837098 "source-unit" "angstrom" } "c" { "source-value" 15.7146186166 "source-unit" "angstrom" } "alpha" { "source-value" 78.6348299301 "source-unit" "degree" } "beta" { "source-value" 82.1945858431 "source-unit" "degree" } "gamma" { "source-value" 72.4356651835 "source-unit" "degree" } }