{ "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" [ [ 0.761726 0.25 0.077699 ] [ 0.256113 0.009573 0.271209 ] [ 0.256113 0.490427 0.271209 ] [ 0.743887 0.509573 0.728791 ] [ 0.743887 0.990427 0.728791 ] [ 0.238274 0.75 0.922301 ] [ 0.772588 0.75 0.358875 ] [ 0.227412 0.25 0.641125 ] [ 0.714788 0.25 0.424264 ] [ 0.285212 0.75 0.575736 ] [ 0.739257 0.75 0.082013 ] [ 0.260743 0.25 0.917987 ] [ 0.26395 0.25 0.049347 ] [ 0.939154 0.75 0.149036 ] [ 0.543643 0.75 0.151339 ] [ 0.760911 0.064306 0.333096 ] [ 0.760911 0.435694 0.333096 ] [ 0.45057 0.25 0.467498 ] [ 0.11949 0.75 0.450683 ] [ 0.88051 0.25 0.549317 ] [ 0.54943 0.75 0.532502 ] [ 0.239089 0.564306 0.666904 ] [ 0.239089 0.935694 0.666904 ] [ 0.456357 0.25 0.848661 ] [ 0.060846 0.25 0.850964 ] [ 0.73605 0.75 0.950653 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Fe" "Fe" "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" 5.66613171 "source-unit" "angstrom" } "b" { "source-value" 6.7998478 "source-unit" "angstrom" } "c" { "source-value" 9.84749539 "source-unit" "angstrom" } "beta" { "source-value" 90.36658937 "source-unit" "degree" } }