{ "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" [ [ 0.240125 0.75 0.078268 ] [ 0.779368 0.000852 0.269819 ] [ 0.779368 0.499148 0.269819 ] [ 0.220632 0.500852 0.730181 ] [ 0.220632 0.999148 0.730181 ] [ 0.759875 0.25 0.921732 ] [ 0.280193 0.25 0.353201 ] [ 0.719807 0.75 0.646799 ] [ 0.327687 0.75 0.407405 ] [ 0.672313 0.25 0.592595 ] [ 0.276306 0.25 0.05577 ] [ 0.723694 0.75 0.94423 ] [ 0.772566 0.75 0.069062 ] [ 0.111101 0.25 0.132365 ] [ 0.480228 0.25 0.10762 ] [ 0.256165 0.924838 0.32012 ] [ 0.256165 0.575162 0.32012 ] [ 0.591577 0.75 0.430067 ] [ 0.774047 0.25 0.463398 ] [ 0.225953 0.75 0.536602 ] [ 0.408423 0.25 0.569933 ] [ 0.743835 0.424838 0.67988 ] [ 0.743835 0.075162 0.67988 ] [ 0.519772 0.75 0.89238 ] [ 0.888899 0.75 0.867635 ] [ 0.227434 0.25 0.930938 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Sb" "Sb" "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" 6.03502545 "source-unit" "angstrom" } "b" { "source-value" 7.14307052 "source-unit" "angstrom" } "c" { "source-value" 10.32556296 "source-unit" "angstrom" } "beta" { "source-value" 95.52003839 "source-unit" "degree" } }