{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.085137 0.5 ] [ 0 0.166252 0 ] [ 0 0.58329 0.5 ] [ 0.5 0.422108 0 ] [ 0.5 0.328861 0.5 ] [ 0.5 0.670821 0.5 ] [ 0.5 0.92017 0 ] [ 0.5 0.82831 0.5 ] [ 0 0.251156 0.5 ] [ 0 0.500307 0 ] [ 0 0.750867 0.5 ] [ 0 0.998728 0 ] [ 0.233549 0.250338 0.25635 ] [ 0.228055 0.083405 0.249095 ] [ 0.232084 0.499399 0.757011 ] [ 0.230503 0.167308 0.746701 ] [ 0.266248 0.331722 0.724763 ] [ 0.771945 0.083405 0.750905 ] [ 0.246277 0.74989 0.265502 ] [ 0.266897 0.418246 0.222505 ] [ 0.234704 0.580909 0.258703 ] [ 0.769497 0.167308 0.253299 ] [ 0.733752 0.331722 0.275237 ] [ 0.231292 0.99977 0.756818 ] [ 0.768708 0.99977 0.243182 ] [ 0.25414 0.665948 0.722196 ] [ 0.263625 0.831973 0.729106 ] [ 0.733103 0.418246 0.777495 ] [ 0.765296 0.580909 0.741297 ] [ 0.766451 0.250338 0.74365 ] [ 0.269153 0.918089 0.226173 ] [ 0.74586 0.665948 0.277804 ] [ 0.736375 0.831973 0.270894 ] [ 0.767916 0.499399 0.242989 ] [ 0.730847 0.918089 0.773827 ] [ 0.753723 0.74989 0.734498 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "U" "U" "U" "U" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11379848 "source-unit" "angstrom" } "b" { "source-value" 24.11177521 "source-unit" "angstrom" } "c" { "source-value" 7.15687368 "source-unit" "angstrom" } "beta" { "source-value" 110.70383343 "source-unit" "degree" } }