{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0 0.665918 0.837462 ] [ 0 0.334082 0.162538 ] [ 0.665918 0.162538 0 ] [ 0.837462 0 0.334082 ] [ 0.665918 0.837462 0 ] [ 0.162538 0 0.665918 ] [ 0.334082 0.837462 0 ] [ 0.837462 0 0.665918 ] [ 0.162538 0 0.334082 ] [ 0.334082 0.162538 0 ] [ 0 0.665918 0.162538 ] [ 0 0.334082 0.837462 ] [ 0.5 0.165918 0.337462 ] [ 0.5 0.834082 0.662538 ] [ 0.165918 0.662538 0.5 ] [ 0.337462 0.5 0.834082 ] [ 0.165918 0.337462 0.5 ] [ 0.662538 0.5 0.165918 ] [ 0.834082 0.337462 0.5 ] [ 0.337462 0.5 0.165918 ] [ 0.662538 0.5 0.834082 ] [ 0.834082 0.662538 0.5 ] [ 0.5 0.165918 0.662538 ] [ 0.5 0.834082 0.337462 ] ] } "species" { "source-value" [ "Nd" "Nd" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 9.18215989591 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.3742361723529415 "source-unit" "eV" } }