{ "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" [ [ 0.931051 0.678814 0.307787 ] [ 0.431051 0.821186 0.307787 ] [ 0.568949 0.178814 0.692213 ] [ 0.747592 0.669653 0.744198 ] [ 0 0 0 ] [ 0.068949 0.321186 0.692213 ] [ 0.752408 0.169653 0.255802 ] [ 0.247592 0.830347 0.744198 ] [ 0.252408 0.330347 0.255802 ] [ 0.5 0.5 0 ] [ 0.37004 0.131969 0.987666 ] [ 0.14446 0.032894 0.417469 ] [ 0.62996 0.868031 0.012334 ] [ 0.64446 0.467106 0.417469 ] [ 0.12996 0.631969 0.012334 ] [ 0.35554 0.532894 0.582531 ] [ 0.85554 0.967106 0.582531 ] [ 0.87004 0.368031 0.987666 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.80527686785 "source-unit" "angstrom" } "b" { "source-value" 8.1315262 "source-unit" "angstrom" } "c" { "source-value" 8.09910972589 "source-unit" "angstrom" } "beta" { "source-value" 109.244948611 "source-unit" "degree" } }