{ "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" [ [ 0.027829 0.026875 0.394439 ] [ 0.290669 0.282168 0.914205 ] [ 0.262692 0.249602 0.163059 ] [ 0.529474 0.539786 0.41871 ] [ 0.977168 0.997909 0.651624 ] [ 0.025539 0.34814 0.381043 ] [ 0.258879 0.930101 0.880037 ] [ 0.469643 0.161162 0.626552 ] [ 0.24545 0.57662 0.134809 ] [ 0.773321 0.444344 0.880015 ] [ 0.533791 0.853261 0.379277 ] [ 0.987126 0.64562 0.634872 ] [ 0.728901 0.060016 0.123892 ] [ 0.031637 0.69059 0.386722 ] [ 0.272423 0.595741 0.872827 ] [ 0.484686 0.816433 0.627619 ] [ 0.234483 0.906455 0.136178 ] [ 0.519068 0.184119 0.371292 ] [ 0.764832 0.113994 0.879782 ] [ 0.966031 0.31262 0.628409 ] [ 0.730867 0.383017 0.118262 ] [ 0.019037 0.101743 0.862792 ] [ 0.117448 0.698693 0.827937 ] [ 0.154335 0.491797 0.913658 ] [ 0.080187 0.17106 0.607475 ] [ 0.056442 0.422509 0.585724 ] [ 0.238801 0.827877 0.661438 ] [ 0.269092 0.659655 0.347999 ] [ 0.532257 0.595497 0.877724 ] [ 0.609262 0.226243 0.847082 ] [ 0.410029 0.083749 0.415934 ] [ 0.394371 0.314231 0.35972 ] [ 0.653984 0.019683 0.930145 ] [ 0.348653 0.012238 0.093344 ] [ 0.621784 0.683995 0.617115 ] [ 0.585805 0.936859 0.599957 ] [ 0.381345 0.796999 0.169977 ] [ 0.464885 0.381722 0.113094 ] [ 0.754033 0.344597 0.685307 ] [ 0.756817 0.151831 0.332626 ] [ 0.918371 0.581435 0.425419 ] [ 0.913565 0.826996 0.391584 ] [ 0.857072 0.478586 0.075795 ] [ 0.882753 0.277949 0.164757 ] [ 0.980067 0.921638 0.145341 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.23516865 "source-unit" "angstrom" } "b" { "source-value" 9.11687602 "source-unit" "angstrom" } "c" { "source-value" 11.34388283 "source-unit" "angstrom" } "alpha" { "source-value" 112.47872894 "source-unit" "degree" } "beta" { "source-value" 102.93852343 "source-unit" "degree" } "gamma" { "source-value" 89.37135288 "source-unit" "degree" } }