{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.268655 0 ] [ 0.268655 0 0 ] [ 0 0 0.268655 ] [ 0 0.731345 0 ] [ 0 0 0.731345 ] [ 0.731345 0 0 ] [ 0 0.768655 0.5 ] [ 0.268655 0.5 0.5 ] [ 0 0.5 0.768655 ] [ 0 0.231345 0.5 ] [ 0 0.5 0.231345 ] [ 0.731345 0.5 0.5 ] [ 0.5 0.268655 0.5 ] [ 0.768655 0 0.5 ] [ 0.5 0 0.768655 ] [ 0.5 0.731345 0.5 ] [ 0.5 0 0.231345 ] [ 0.231345 0 0.5 ] [ 0.5 0.768655 0 ] [ 0.768655 0.5 0 ] [ 0.5 0.5 0.268655 ] [ 0.5 0.231345 0 ] [ 0.5 0.5 0.731345 ] [ 0.231345 0.5 0 ] [ 0.618255 0.118255 0.118255 ] [ 0 0.174228 0.174228 ] [ 0.174228 0.174228 0 ] [ 0.174228 0.825772 0 ] [ 0.174228 0 0.825772 ] [ 0.881745 0.381745 0.118255 ] [ 0 0.174228 0.825772 ] [ 0.825772 0 0.174228 ] [ 0 0.825772 0.174228 ] [ 0.825772 0 0.825772 ] [ 0.381745 0.881745 0.881745 ] [ 0.118255 0.618255 0.881745 ] [ 0 0.825772 0.825772 ] [ 0.381745 0.618255 0.618255 ] [ 0.825772 0.825772 0 ] [ 0.118255 0.881745 0.618255 ] [ 0.825772 0.174228 0 ] [ 0.174228 0 0.174228 ] [ 0.618255 0.381745 0.381745 ] [ 0.881745 0.118255 0.381745 ] [ 0.618255 0.618255 0.618255 ] [ 0 0.674228 0.674228 ] [ 0.174228 0.674228 0.5 ] [ 0.174228 0.325772 0.5 ] [ 0.174228 0.5 0.325772 ] [ 0.881745 0.881745 0.618255 ] [ 0 0.674228 0.325772 ] [ 0.825772 0.5 0.674228 ] [ 0 0.325772 0.674228 ] [ 0.825772 0.5 0.325772 ] [ 0.381745 0.381745 0.381745 ] [ 0.118255 0.118255 0.381745 ] [ 0 0.325772 0.325772 ] [ 0.381745 0.118255 0.118255 ] [ 0.825772 0.325772 0.5 ] [ 0.118255 0.381745 0.118255 ] [ 0.825772 0.674228 0.5 ] [ 0.174228 0.5 0.674228 ] [ 0.618255 0.881745 0.881745 ] [ 0.881745 0.618255 0.881745 ] [ 0.118255 0.118255 0.618255 ] [ 0.5 0.174228 0.674228 ] [ 0.674228 0.174228 0.5 ] [ 0.674228 0.825772 0.5 ] [ 0.674228 0 0.325772 ] [ 0.381745 0.381745 0.618255 ] [ 0.5 0.174228 0.325772 ] [ 0.325772 0 0.674228 ] [ 0.5 0.825772 0.674228 ] [ 0.325772 0 0.325772 ] [ 0.881745 0.881745 0.381745 ] [ 0.618255 0.618255 0.381745 ] [ 0.5 0.825772 0.325772 ] [ 0.881745 0.618255 0.118255 ] [ 0.325772 0.825772 0.5 ] [ 0.618255 0.881745 0.118255 ] [ 0.325772 0.174228 0.5 ] [ 0.674228 0 0.674228 ] [ 0.118255 0.381745 0.881745 ] [ 0.381745 0.118255 0.881745 ] [ 0.118255 0.618255 0.118255 ] [ 0.5 0.674228 0.174228 ] [ 0.674228 0.674228 0 ] [ 0.674228 0.325772 0 ] [ 0.674228 0.5 0.825772 ] [ 0.381745 0.881745 0.118255 ] [ 0.5 0.674228 0.825772 ] [ 0.325772 0.5 0.174228 ] [ 0.5 0.325772 0.174228 ] [ 0.325772 0.5 0.825772 ] [ 0.881745 0.381745 0.881745 ] [ 0.618255 0.118255 0.881745 ] [ 0.5 0.325772 0.825772 ] [ 0.881745 0.118255 0.618255 ] [ 0.325772 0.325772 0 ] [ 0.618255 0.381745 0.618255 ] [ 0.325772 0.674228 0 ] [ 0.674228 0.5 0.174228 ] [ 0.118255 0.881745 0.381745 ] [ 0.381745 0.618255 0.381745 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 12.55820419 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.77400311862069 "source-unit" "eV" } }