{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.004281 0.395496 0.16527 ] [ 0.995719 0.895496 0.33473 ] [ 0.004281 0.104504 0.66527 ] [ 0.995719 0.604504 0.83473 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.539834 0.267607 0.919133 ] [ 0.460166 0.767607 0.580867 ] [ 0.460166 0.732393 0.080867 ] [ 0.539834 0.232393 0.419133 ] [ 0.527814 0.59857 0.338235 ] [ 0.472186 0.09857 0.161765 ] [ 0.472186 0.40143 0.661765 ] [ 0.527814 0.90143 0.838235 ] [ 0.785318 0.410746 0.665769 ] [ 0.214682 0.589254 0.334231 ] [ 0.677089 0.087177 0.861994 ] [ 0.322911 0.587177 0.638006 ] [ 0.322911 0.912823 0.138006 ] [ 0.785318 0.089254 0.165769 ] [ 0.640771 0.777772 0.953002 ] [ 0.359229 0.277772 0.546998 ] [ 0.359229 0.222228 0.046998 ] [ 0.640771 0.722228 0.453002 ] [ 0.656603 0.8344 0.700004 ] [ 0.343397 0.3344 0.799996 ] [ 0.343397 0.1656 0.299996 ] [ 0.656603 0.6656 0.200004 ] [ 0.771056 0.111712 0.457583 ] [ 0.228944 0.611712 0.042417 ] [ 0.228944 0.888288 0.542417 ] [ 0.771056 0.388288 0.957583 ] [ 0.677089 0.412823 0.361994 ] [ 0.214682 0.910746 0.834231 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Cu" "Cu" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 4.60484344786 "source-unit" "angstrom" } "b" { "source-value" 7.29021853 "source-unit" "angstrom" } "c" { "source-value" 9.35995921303 "source-unit" "angstrom" } "beta" { "source-value" 90.4646285084 "source-unit" "degree" } }