{ "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 ] [ 0.531263 0.25289 0.774317 ] [ 0.5 0.5 0.5 ] [ 0.468737 0.74711 0.225683 ] [ 0.016115 0.746857 0.721122 ] [ 0.983885 0.253143 0.278878 ] [ 0.584076 0.751082 0.8973 ] [ 0.06767 0.248781 0.593632 ] [ 0.93233 0.751219 0.406368 ] [ 0.415924 0.248918 0.1027 ] [ 0.341253 0.248158 0.957446 ] [ 0.267576 0.761761 0.877197 ] [ 0.738153 0.954866 0.830662 ] [ 0.728874 0.552525 0.820204 ] [ 0.188615 0.036751 0.664652 ] [ 0.205196 0.456149 0.662569 ] [ 0.752506 0.265281 0.595559 ] [ 0.813664 0.747094 0.549761 ] [ 0.186336 0.252906 0.450239 ] [ 0.247494 0.734719 0.404441 ] [ 0.811385 0.963249 0.335348 ] [ 0.794804 0.543851 0.337431 ] [ 0.271126 0.447475 0.179796 ] [ 0.261847 0.045134 0.169338 ] [ 0.732424 0.23824 0.122803 ] [ 0.658747 0.751842 0.042554 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "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" 4.82500707 "source-unit" "angstrom" } "b" { "source-value" 5.91241015 "source-unit" "angstrom" } "c" { "source-value" 10.22978281 "source-unit" "angstrom" } "alpha" { "source-value" 89.9106574 "source-unit" "degree" } "beta" { "source-value" 89.74294945 "source-unit" "degree" } "gamma" { "source-value" 88.64764832 "source-unit" "degree" } }