{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.727839 0 0 ] [ 0 0 0.272161 ] [ 0 0 0.727839 ] [ 0 0.727839 0 ] [ 0 0.272161 0 ] [ 0.272161 0 0 ] [ 0.25 0.5 0 ] [ 0.5 0 0.25 ] [ 0.25 0 0.5 ] [ 0 0.25 0.5 ] [ 0.5 0.25 0 ] [ 0 0.5 0.25 ] [ 0.227839 0.5 0.5 ] [ 0.5 0.5 0.772161 ] [ 0.5 0.5 0.227839 ] [ 0.5 0.227839 0.5 ] [ 0.5 0.772161 0.5 ] [ 0.772161 0.5 0.5 ] [ 0.75 0 0.5 ] [ 0 0.5 0.75 ] [ 0.75 0.5 0 ] [ 0.5 0.75 0 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.4131440652 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.16488779 "source-unit" "eV" } }