{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0.492784 0.665587 0.747685 ] [ 0.172802 0.507216 0.747685 ] [ 0.665587 0.172802 0.252315 ] [ 0.827198 0.492784 0.252315 ] [ 0.507216 0.334413 0.252315 ] [ 0.827198 0.334413 0.747685 ] [ 0.507216 0.172802 0.747685 ] [ 0.665587 0.492784 0.747685 ] [ 0.165726 0.165726 0.246039 ] [ 0.834274 0 0.246039 ] [ 0 0.834274 0.246039 ] [ 0.834274 0.834274 0.753961 ] [ 0 0.165726 0.753961 ] [ 0.165726 0 0.753961 ] [ 0.334413 0.827198 0.747685 ] [ 0.492784 0.827198 0.252315 ] [ 0.334413 0.507216 0.252315 ] [ 0.172802 0.665587 0.252315 ] [ 0.66368 0 0.75472 ] [ 0 0.66368 0.75472 ] [ 0.33632 0.33632 0.75472 ] [ 0 0.33632 0.24528 ] [ 0.33632 0 0.24528 ] [ 0.66368 0.66368 0.24528 ] [ 0.342612 0.171306 0 ] [ 0.828694 0.657388 0 ] [ 0.828694 0.171306 0 ] [ 0.657388 0.828694 0 ] [ 0.171306 0.342612 0 ] [ 0.171306 0.828694 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 9.41145364553 "source-unit" "angstrom" } "c" { "source-value" 4.3078166 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.478654119411765 "source-unit" "eV" } }