{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.736252 0.984149 0.274779 ] [ 0.263748 0.015851 0.725221 ] [ 0.789151 0.25 0.896004 ] [ 0.210849 0.75 0.103996 ] [ 0.736252 0.515851 0.274779 ] [ 0.263748 0.484149 0.725221 ] [ 0.792271 0.75 0.667377 ] [ 0.207729 0.25 0.332623 ] [ 0.728252 0.25 0.586312 ] [ 0.271748 0.75 0.413688 ] [ 0.684496 0.75 0.958128 ] [ 0.315504 0.25 0.041872 ] [ 0.16493 0.75 0.579707 ] [ 0.934291 0.75 0.926852 ] [ 0.499929 0.25 0.163776 ] [ 0.500071 0.75 0.836224 ] [ 0.167517 0.562354 0.307663 ] [ 0.065709 0.25 0.073148 ] [ 0.167517 0.937646 0.307663 ] [ 0.832483 0.437646 0.692337 ] [ 0.832483 0.062354 0.692337 ] [ 0.412627 0.25 0.562936 ] [ 0.616576 0.75 0.103157 ] [ 0.383424 0.25 0.896843 ] [ 0.587373 0.75 0.437064 ] [ 0.83507 0.25 0.420293 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "P" "P" "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" 4.97499645874 "source-unit" "angstrom" } "b" { "source-value" 6.41963083 "source-unit" "angstrom" } "c" { "source-value" 8.39751154369 "source-unit" "angstrom" } "beta" { "source-value" 95.5068655633 "source-unit" "degree" } }