{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.125 0.125 0.125 ] [ 0.875 0.375 0.375 ] [ 0.625 0.625 0.125 ] [ 0.375 0.875 0.375 ] [ 0.625 0.125 0.625 ] [ 0.375 0.375 0.875 ] [ 0.5 0.75 0.75 ] [ 0.75 0.5 0.75 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.5 0.25 0.25 ] [ 0.75 0 0.25 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0 0.75 0.25 ] [ 0.25 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0 0.25 0.75 ] [ 0.25 0 0.75 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.989455 0.760545 0.489455 ] [ 0.760545 0.989455 0.489455 ] [ 0.010545 0.510545 0.239455 ] [ 0.010545 0.739455 0.010545 ] [ 0.239455 0.510545 0.010545 ] [ 0.989455 0.989455 0.260545 ] [ 0.260545 0.760545 0.760545 ] [ 0.739455 0.739455 0.739455 ] [ 0.989455 0.260545 0.989455 ] [ 0.760545 0.489455 0.989455 ] [ 0.010545 0.010545 0.739455 ] [ 0.010545 0.239455 0.510545 ] [ 0.239455 0.010545 0.510545 ] [ 0.989455 0.489455 0.760545 ] [ 0.260545 0.260545 0.260545 ] [ 0.739455 0.239455 0.239455 ] [ 0.489455 0.760545 0.989455 ] [ 0.260545 0.989455 0.989455 ] [ 0.510545 0.510545 0.739455 ] [ 0.510545 0.739455 0.510545 ] [ 0.739455 0.510545 0.510545 ] [ 0.489455 0.989455 0.760545 ] [ 0.760545 0.760545 0.260545 ] [ 0.239455 0.739455 0.239455 ] [ 0.489455 0.260545 0.489455 ] [ 0.260545 0.489455 0.489455 ] [ 0.510545 0.010545 0.239455 ] [ 0.510545 0.239455 0.010545 ] [ 0.739455 0.010545 0.010545 ] [ 0.489455 0.489455 0.260545 ] [ 0.760545 0.260545 0.760545 ] [ 0.239455 0.239455 0.739455 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.0432730931 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.0453413764285715 "source-unit" "eV" } }