{ "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" [ [ 0.787942 0.847557 0.863037 ] [ 0.212058 0.152443 0.136963 ] [ 0.895022 0.282603 0.648854 ] [ 0.104978 0.717397 0.351146 ] [ 0.215874 0.768531 0.842076 ] [ 0.353272 0.169643 0.610511 ] [ 0.646728 0.830357 0.389489 ] [ 0.784126 0.231469 0.157924 ] [ 0.337685 0.498166 0.834045 ] [ 0.662315 0.501834 0.165955 ] [ 0.385327 0.648071 0.91126 ] [ 0.875654 0.150021 0.995577 ] [ 0.375249 0.974585 0.747816 ] [ 0.21879 0.281279 0.711916 ] [ 0.032495 0.623772 0.688893 ] [ 0.59109 0.319947 0.611098 ] [ 0.768349 0.943325 0.58591 ] [ 0.231651 0.056675 0.41409 ] [ 0.40891 0.680053 0.388902 ] [ 0.967505 0.376228 0.311107 ] [ 0.78121 0.718721 0.288084 ] [ 0.624751 0.025415 0.252184 ] [ 0.124346 0.849979 0.004423 ] [ 0.614673 0.351929 0.08874 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "P" "P" "P" "P" "H" "H" "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" 6.4559335 "source-unit" "angstrom" } "b" { "source-value" 6.52433477 "source-unit" "angstrom" } "c" { "source-value" 7.02430029 "source-unit" "angstrom" } "alpha" { "source-value" 90.84603168 "source-unit" "degree" } "beta" { "source-value" 97.40315821 "source-unit" "degree" } "gamma" { "source-value" 110.10887136 "source-unit" "degree" } }