{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.389564 0.780816 0.034297 ] [ 0.764159 0.528068 0.159982 ] [ 0.061541 0.123018 0.094194 ] [ 0.139444 0.279371 0.285654 ] [ 0.437856 0.87614 0.221542 ] [ 0.514507 0.02951 0.41075 ] [ 0.813608 0.626642 0.346826 ] [ 0.8895 0.779508 0.535808 ] [ 0.188582 0.376574 0.471876 ] [ 0.264497 0.528952 0.661521 ] [ 0.56298 0.126174 0.596982 ] [ 0.644463 0.281399 0.785912 ] [ 0.935103 0.874634 0.722868 ] [ 0.015461 0.0359 0.909412 ] [ 0.378707 0.75525 0.124915 ] [ 0.752954 0.505273 0.250292 ] [ 0.128285 0.255549 0.375516 ] [ 0.503341 0.005645 0.500564 ] [ 0.878016 0.75593 0.625744 ] [ 0.252302 0.50915 0.751894 ] [ 0.627264 0.259032 0.874806 ] [ 0.005018 0.004055 0.997636 ] [ 0.685711 0.377256 0.060886 ] [ 0.062251 0.125151 0.187079 ] [ 0.437383 0.875646 0.312552 ] [ 0.812415 0.625791 0.437682 ] [ 0.187378 0.37591 0.562727 ] [ 0.562158 0.126526 0.688032 ] [ 0.948037 0.881022 0.813869 ] [ 0.320025 0.631839 0.937017 ] [ 0.412414 0.064232 0.089371 ] [ 0.400931 0.189503 0.018182 ] [ 0.860205 0.143082 0.04434 ] [ 0.478731 0.573556 0.075275 ] [ 0.938165 0.508002 0.105876 ] [ 0.776942 0.81059 0.214294 ] [ 0.95521 0.676176 0.030921 ] [ 0.816385 0.956271 0.140662 ] [ 0.239194 0.892038 0.1731 ] [ 0.854777 0.32363 0.200796 ] [ 0.309812 0.260446 0.232622 ] [ 0.151641 0.560548 0.339568 ] [ 0.333602 0.413842 0.15597 ] [ 0.189594 0.707449 0.266368 ] [ 0.615281 0.643632 0.298597 ] [ 0.230507 0.074534 0.326165 ] [ 0.684664 0.011317 0.358001 ] [ 0.526539 0.310552 0.46459 ] [ 0.708257 0.163401 0.281231 ] [ 0.56491 0.457808 0.391457 ] [ 0.990486 0.393882 0.423736 ] [ 0.605555 0.824628 0.451211 ] [ 0.059635 0.761448 0.483054 ] [ 0.901248 0.060311 0.589684 ] [ 0.083412 0.913282 0.406285 ] [ 0.939962 0.208053 0.516546 ] [ 0.365435 0.144142 0.548808 ] [ 0.980531 0.574958 0.576394 ] [ 0.434615 0.51188 0.608241 ] [ 0.276464 0.810303 0.714992 ] [ 0.458119 0.663144 0.531349 ] [ 0.314746 0.959965 0.641913 ] [ 0.741044 0.895573 0.674162 ] [ 0.359064 0.328166 0.702358 ] [ 0.810076 0.261409 0.733754 ] [ 0.682533 0.555729 0.842926 ] [ 0.832944 0.413861 0.656748 ] [ 0.685936 0.717362 0.769591 ] [ 0.110408 0.649749 0.797617 ] [ 0.741981 0.083538 0.829743 ] [ 0.198121 0.025573 0.859588 ] [ 0.065093 0.308644 0.967098 ] [ 0.213791 0.167512 0.782618 ] [ 0.023347 0.44439 0.896657 ] [ 0.481271 0.39846 0.918516 ] [ 0.110104 0.830517 0.952692 ] [ 0.571758 0.774882 0.982417 ] [ 0.584047 0.926299 0.907085 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.26610052 "source-unit" "angstrom" } "b" { "source-value" 5.5357316 "source-unit" "angstrom" } "c" { "source-value" 34.71059432 "source-unit" "angstrom" } "alpha" { "source-value" 92.43400702 "source-unit" "degree" } "beta" { "source-value" 90.00297981 "source-unit" "degree" } "gamma" { "source-value" 118.36488729 "source-unit" "degree" } }