{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pn3" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.222323 0.051284 0.960233 ] [ 0.960233 0.222323 0.051284 ] [ 0.051284 0.960233 0.222323 ] [ 0.051284 0.539767 0.277677 ] [ 0.539767 0.222323 0.448716 ] [ 0.960233 0.277677 0.448716 ] [ 0.448716 0.539767 0.222323 ] [ 0.539767 0.277677 0.051284 ] [ 0.448716 0.960233 0.277677 ] [ 0.277677 0.051284 0.539767 ] [ 0.222323 0.448716 0.539767 ] [ 0.277677 0.448716 0.960233 ] [ 0.777677 0.948716 0.039767 ] [ 0.039767 0.777677 0.948716 ] [ 0.948716 0.039767 0.777677 ] [ 0.948716 0.460233 0.722323 ] [ 0.460233 0.777677 0.551284 ] [ 0.039767 0.722323 0.551284 ] [ 0.551284 0.460233 0.777677 ] [ 0.460233 0.722323 0.948716 ] [ 0.551284 0.039767 0.722323 ] [ 0.722323 0.948716 0.460233 ] [ 0.777677 0.551284 0.460233 ] [ 0.722323 0.551284 0.039767 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "In" "In" "In" "In" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 9.12598883892 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.475203232625001 "source-unit" "eV" } }