{ "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 0.125 0.125 ] [ 0.875 0.375 0.375 ] [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.125 0.625 ] [ 0.375 0.375 0.875 ] [ 0.625 0.625 0.125 ] [ 0.375 0.875 0.375 ] [ 0 0.25 0.75 ] [ 0.25 0 0.75 ] [ 0.5 0 0 ] [ 0.75 0.25 0 ] [ 0 0.75 0.25 ] [ 0.25 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0.25 0.25 ] [ 0.75 0 0.25 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.75 0.75 ] [ 0.75 0.5 0.75 ] [ 0 0.5 0 ] [ 0.25 0.75 0 ] [ 0.50792 0.00792 0.24208 ] [ 0.75792 0.49208 0.99208 ] [ 0.49208 0.49208 0.25792 ] [ 0.00792 0.24208 0.50792 ] [ 0.24208 0.00792 0.50792 ] [ 0.25792 0.25792 0.25792 ] [ 0.99208 0.25792 0.99208 ] [ 0.74208 0.24208 0.24208 ] [ 0.50792 0.50792 0.74208 ] [ 0.75792 0.99208 0.49208 ] [ 0.49208 0.99208 0.75792 ] [ 0.00792 0.74208 0.00792 ] [ 0.24208 0.50792 0.00792 ] [ 0.25792 0.75792 0.75792 ] [ 0.99208 0.75792 0.49208 ] [ 0.74208 0.74208 0.74208 ] [ 0.00792 0.00792 0.74208 ] [ 0.25792 0.49208 0.49208 ] [ 0.99208 0.49208 0.75792 ] [ 0.50792 0.24208 0.00792 ] [ 0.74208 0.00792 0.00792 ] [ 0.75792 0.25792 0.75792 ] [ 0.49208 0.25792 0.49208 ] [ 0.24208 0.24208 0.74208 ] [ 0.00792 0.50792 0.24208 ] [ 0.25792 0.99208 0.99208 ] [ 0.99208 0.99208 0.25792 ] [ 0.50792 0.74208 0.50792 ] [ 0.74208 0.50792 0.50792 ] [ 0.75792 0.75792 0.25792 ] [ 0.49208 0.75792 0.99208 ] [ 0.24208 0.74208 0.24208 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 10.7015743477 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.183514081428571 "source-unit" "eV" } }