{ "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" [ [ 0.000209 0.750165 0.249215 ] [ 0.125254 0.124807 0.124848 ] [ 0.625431 0.126782 0.125092 ] [ 0.75022 0.999603 0.500612 ] [ 0.875543 0.374951 0.375143 ] [ 0.374476 0.373913 0.375933 ] [ 0.625524 0.626087 0.624067 ] [ 0.124457 0.625049 0.624857 ] [ 0.24978 0.000397 0.499388 ] [ 0.249399 0.498637 0.999022 ] [ 0.374569 0.873218 0.874908 ] [ 0.874746 0.875193 0.875152 ] [ 0.999791 0.249835 0.750785 ] [ 0.750601 0.501363 0.000978 ] [ 0.189968 0.812416 0.064688 ] [ 0.941577 0.065912 0.312652 ] [ 0.555825 0.439578 0.188141 ] [ 0.689693 0.311892 0.564603 ] [ 0.310307 0.688108 0.435397 ] [ 0.445518 0.063417 0.312691 ] [ 0.444175 0.560422 0.811859 ] [ 0.059365 0.437446 0.184674 ] [ 0.058423 0.934088 0.687348 ] [ 0.184574 0.310926 0.565038 ] [ 0.815426 0.689074 0.434962 ] [ 0.810032 0.187584 0.935312 ] [ 0.940635 0.562554 0.815326 ] [ 0.554482 0.936583 0.687309 ] [ 0.688064 0.816162 0.064299 ] [ 0.311936 0.183838 0.935701 ] [ 0.984023 0.267052 0.078707 ] [ 0.150707 0.592906 0.093327 ] [ 0.326737 0.418127 0.233092 ] [ 0.60015 0.648356 0.148847 ] [ 0.769435 0.984635 0.171577 ] [ 0.733187 0.518014 0.327746 ] [ 0.951629 0.797075 0.106195 ] [ 0.908128 0.844975 0.34579 ] [ 0.171865 0.078772 0.269516 ] [ 0.07817 0.67253 0.484408 ] [ 0.348276 0.899176 0.199506 ] [ 0.345186 0.904339 0.404945 ] [ 0.532445 0.219422 0.221038 ] [ 0.519031 0.233308 0.421692 ] [ 0.799078 0.4487 0.143762 ] [ 0.480969 0.766692 0.578308 ] [ 0.703583 0.049533 0.359036 ] [ 0.654814 0.095661 0.595055 ] [ 0.970393 0.279143 0.280422 ] [ 0.92183 0.32747 0.515592 ] [ 0.139349 0.605417 0.298462 ] [ 0.828135 0.921228 0.730484 ] [ 0.104391 0.141084 0.452379 ] [ 0.091872 0.155025 0.65421 ] [ 0.273564 0.469249 0.469009 ] [ 0.266813 0.481986 0.672254 ] [ 0.550215 0.69751 0.402264 ] [ 0.230565 0.015365 0.828423 ] [ 0.449785 0.30249 0.597736 ] [ 0.39985 0.351644 0.851153 ] [ 0.726436 0.530751 0.530991 ] [ 0.673263 0.581873 0.766908 ] [ 0.895609 0.858916 0.547621 ] [ 0.578125 0.172966 0.982413 ] [ 0.860651 0.394583 0.701538 ] [ 0.849293 0.407094 0.906673 ] [ 0.029607 0.720857 0.719578 ] [ 0.015977 0.732948 0.921293 ] [ 0.296417 0.950467 0.640964 ] [ 0.200922 0.5513 0.856238 ] [ 0.467555 0.780578 0.778962 ] [ 0.421875 0.827034 0.017587 ] [ 0.651724 0.100824 0.800494 ] [ 0.608845 0.646453 0.950244 ] [ 0.782497 0.97085 0.971178 ] [ 0.048371 0.202925 0.893805 ] [ 0.217503 0.02915 0.028822 ] [ 0.391155 0.353547 0.049756 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" 7.65153816 "source-unit" "angstrom" } "b" { "source-value" 9.28622822 "source-unit" "angstrom" } "c" { "source-value" 13.94096713 "source-unit" "angstrom" } "alpha" { "source-value" 90.00640457 "source-unit" "degree" } "beta" { "source-value" 105.10949001 "source-unit" "degree" } "gamma" { "source-value" 110.42069716 "source-unit" "degree" } }