{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.125 0.5 0.25 ] [ 0 0.25 0.875 ] [ 0.5 0.25 0.125 ] [ 0.25 0.125 0.5 ] [ 0.25 0.875 0 ] [ 0.875 0 0.25 ] [ 0.625 0 0.75 ] [ 0.5 0.75 0.375 ] [ 0 0.75 0.625 ] [ 0.75 0.625 0 ] [ 0.75 0.375 0.5 ] [ 0.375 0.5 0.75 ] [ 0.031375 0.031375 0.031375 ] [ 0.781375 0.218625 0.718625 ] [ 0.218625 0.718625 0.781375 ] [ 0.718625 0.781375 0.218625 ] [ 0.468625 0.968625 0.531375 ] [ 0.968625 0.531375 0.468625 ] [ 0.781375 0.781375 0.781375 ] [ 0.531375 0.468625 0.968625 ] [ 0.531375 0.531375 0.531375 ] [ 0.281375 0.718625 0.218625 ] [ 0.718625 0.218625 0.281375 ] [ 0.218625 0.281375 0.718625 ] [ 0.968625 0.468625 0.031375 ] [ 0.468625 0.031375 0.968625 ] [ 0.281375 0.281375 0.281375 ] [ 0.031375 0.968625 0.468625 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 6.48829478888 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.082174944285715 "source-unit" "eV" } }