{ "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" [ [ 0.5339 0.253888 0.732853 ] [ 0.000024 0.837512 0.993323 ] [ 0.870041 0.017516 0.457808 ] [ 0.600875 0.160759 0.135763 ] [ 0.034645 0.47192 0.04137 ] [ 0.546231 0.565719 0.407969 ] [ 0.184612 0.155364 0.875517 ] [ 0.132057 0.26997 0.312609 ] [ 0.814349 0.386432 0.588357 ] [ 0.772545 0.578426 0.177015 ] [ 0.403897 0.806417 0.212305 ] [ 0.668589 0.954799 0.795404 ] [ 0.139192 0.06815 0.679027 ] [ 0.236461 0.068226 0.986302 ] [ 0.037523 0.079036 0.269036 ] [ 0.701718 0.092659 0.737429 ] [ 0.684805 0.382606 0.414452 ] [ 0.942812 0.314159 0.578836 ] [ 0.632832 0.382256 0.045776 ] [ 0.802905 0.465797 0.754387 ] [ 0.336153 0.381604 0.445419 ] [ 0.194608 0.335535 0.963581 ] [ 0.015464 0.345402 0.225723 ] [ 0.740434 0.696617 0.315829 ] [ 0.941087 0.663608 0.172387 ] [ 0.22818 0.739087 0.04542 ] [ 0.40428 0.725982 0.334069 ] [ 0.579516 0.96123 0.259873 ] [ 0.556922 0.939827 0.888728 ] [ 0.738258 0.82002 0.760295 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "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" 7.5994125 "source-unit" "angstrom" } "b" { "source-value" 7.64927678 "source-unit" "angstrom" } "c" { "source-value" 7.75039395 "source-unit" "angstrom" } "alpha" { "source-value" 109.16305441 "source-unit" "degree" } "beta" { "source-value" 111.18824418 "source-unit" "degree" } "gamma" { "source-value" 107.29049955 "source-unit" "degree" } }