{ "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 0 0.5 ] [ 0 0 0 ] [ 0.330755 0.334291 0.864882 ] [ 0.331982 0.337962 0.634605 ] [ 0.668018 0.662038 0.365395 ] [ 0.669245 0.665709 0.135118 ] [ 0.664129 0.669655 0.588693 ] [ 0.665461 0.669455 0.91055 ] [ 0.335871 0.330345 0.411307 ] [ 0.334539 0.330545 0.08945 ] [ 0.388287 0.925685 0.91279 ] [ 0.077778 0.609386 0.412538 ] [ 0.386083 0.68864 0.585812 ] [ 0.316344 0.606165 0.091017 ] [ 0.684897 0.926772 0.586926 ] [ 0.073903 0.312946 0.085548 ] [ 0.677068 0.679042 0.251195 ] [ 0.347664 0.308877 0.74973 ] [ 0.926097 0.687054 0.914452 ] [ 0.315103 0.073228 0.413074 ] [ 0.683656 0.393835 0.908983 ] [ 0.613917 0.31136 0.414188 ] [ 0.922222 0.390614 0.587462 ] [ 0.611713 0.074315 0.08721 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "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" 4.81447913 "source-unit" "angstrom" } "b" { "source-value" 4.8343874 "source-unit" "angstrom" } "c" { "source-value" 15.24270448 "source-unit" "angstrom" } "alpha" { "source-value" 89.65741764 "source-unit" "degree" } "beta" { "source-value" 89.62444947 "source-unit" "degree" } "gamma" { "source-value" 60.27491891 "source-unit" "degree" } }