{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.986394 0.653726 0.567232 ] [ 0.986394 0.346274 0.067232 ] [ 0.004297 0.153572 0.499517 ] [ 0.004297 0.846428 0.999517 ] [ 0.486394 0.153726 0.567232 ] [ 0.486394 0.846274 0.067232 ] [ 0.504297 0.653572 0.499517 ] [ 0.504297 0.346428 0.999517 ] [ 0.24521 0.194858 0.032866 ] [ 0.24521 0.805142 0.532866 ] [ 0.360297 0.04523 0.247252 ] [ 0.360297 0.95477 0.747252 ] [ 0.130368 0.954821 0.318496 ] [ 0.130368 0.045179 0.818496 ] [ 0.74521 0.694858 0.032866 ] [ 0.74521 0.305142 0.532866 ] [ 0.860297 0.54523 0.247252 ] [ 0.860297 0.45477 0.747252 ] [ 0.630368 0.454821 0.318496 ] [ 0.630368 0.545179 0.818496 ] [ 0.744434 0.863894 0.526637 ] [ 0.744434 0.136106 0.026637 ] [ 0.244434 0.363894 0.526637 ] [ 0.244434 0.636106 0.026637 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12214312215 "source-unit" "angstrom" } "b" { "source-value" 9.14722882708 "source-unit" "angstrom" } "c" { "source-value" 7.66724321797 "source-unit" "angstrom" } "beta" { "source-value" 100.454926014 "source-unit" "degree" } }