{ "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" [ [ 0.110013 0.049869 0.699612 ] [ 0.041109 0.795456 0.387825 ] [ 0.692678 0.445755 0.107454 ] [ 0.451549 0.055908 0.25234 ] [ 0.925326 0.744923 0.96367 ] [ 0.284967 0.754564 0.322987 ] [ 0.439894 0.394181 0.809055 ] [ 0.616718 0.325966 0.921074 ] [ 0.755559 0.174471 0.21123 ] [ 0.249334 0.449815 0.440693 ] [ 0.388634 0.673368 0.088244 ] [ 0.237571 0.825772 0.779524 ] [ 0.696921 0.252975 0.696081 ] [ 0.090994 0.264757 0.018545 ] [ 0.809489 0.699131 0.251691 ] [ 0.321896 0.578578 0.89082 ] [ 0.534296 0.922644 0.753813 ] [ 0.958565 0.207712 0.611361 ] [ 0.786825 0.101448 0.466115 ] [ 0.890622 0.977746 0.282093 ] [ 0.3748 0.250581 0.374909 ] [ 0.251176 0.124332 0.127206 ] [ 0.250879 0.616382 0.629012 ] [ 0.130004 0.749828 0.119999 ] [ 0.884727 0.634549 0.738938 ] [ 0.376033 0.129056 0.749922 ] [ 0.61592 0.855526 0.252127 ] [ 0.118593 0.369768 0.250879 ] [ 0.882587 0.252573 0.873365 ] [ 0.74824 0.375399 0.377562 ] [ 0.746241 0.872166 0.876906 ] [ 0.636294 0.742355 0.613147 ] [ 0.00435 0.001205 0.501254 ] [ 0.004725 0.004992 0.994621 ] [ 0.502936 0.502809 0.003036 ] [ 0.992396 0.498818 0.500715 ] [ 0.504458 0.004285 0.997667 ] [ 0.496874 0.491203 0.501832 ] [ 0.995508 0.498847 0.002247 ] [ 0.4941 0.993392 0.499532 ] [ 0.324846 0.299651 0.576786 ] [ 0.075937 0.67172 0.808682 ] [ 0.327345 0.021614 0.598187 ] [ 0.092775 0.420503 0.885574 ] [ 0.203771 0.034373 0.376508 ] [ 0.596315 0.471712 0.327697 ] [ 0.093913 0.674626 0.514369 ] [ 0.019195 0.906231 0.1771 ] [ 0.075552 0.400662 0.611727 ] [ 0.486344 0.307187 0.112492 ] [ 0.577283 0.188199 0.321895 ] [ 0.202308 0.17396 0.921336 ] [ 0.707308 0.618723 0.968108 ] [ 0.412938 0.877641 0.41147 ] [ 0.300257 0.917729 0.175621 ] [ 0.614196 0.51845 0.807661 ] [ 0.116403 0.917666 0.900882 ] [ 0.178443 0.58253 0.301718 ] [ 0.403212 0.606774 0.423135 ] [ 0.972347 0.888817 0.701885 ] [ 0.480562 0.18039 0.906826 ] [ 0.822865 0.406139 0.979755 ] [ 0.616176 0.090729 0.083298 ] [ 0.114432 0.200647 0.479064 ] [ 0.386332 0.914343 0.913077 ] [ 0.172195 0.587489 0.029631 ] [ 0.892799 0.804363 0.522137 ] [ 0.022013 0.117424 0.302416 ] [ 0.57538 0.375637 0.598434 ] [ 0.521781 0.827215 0.089776 ] [ 0.375551 0.472705 0.199862 ] [ 0.824528 0.412527 0.706156 ] [ 0.892747 0.08943 0.090816 ] [ 0.701019 0.086882 0.822422 ] [ 0.811047 0.824949 0.078416 ] [ 0.303798 0.385802 0.016789 ] [ 0.599097 0.109262 0.577418 ] [ 0.921834 0.594458 0.375349 ] [ 0.412614 0.798266 0.679525 ] [ 0.516172 0.696629 0.890537 ] [ 0.970154 0.085847 0.826078 ] [ 0.900134 0.318396 0.482877 ] [ 0.905746 0.58531 0.117166 ] [ 0.421596 0.532317 0.672352 ] [ 0.797923 0.971245 0.616358 ] [ 0.680874 0.977237 0.40136 ] [ 0.910032 0.323642 0.204205 ] [ 0.672309 0.702148 0.405464 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 11.14070099 "source-unit" "angstrom" } "b" { "source-value" 11.14644962 "source-unit" "angstrom" } "c" { "source-value" 11.16091022 "source-unit" "angstrom" } "alpha" { "source-value" 109.76778511 "source-unit" "degree" } "beta" { "source-value" 109.15223552 "source-unit" "degree" } "gamma" { "source-value" 109.27940494 "source-unit" "degree" } }