{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.594506 0 0.5 ] [ 0.405494 0.405494 0.5 ] [ 0 0.594506 0.5 ] [ 0.254962 0 0 ] [ 0.745038 0.745038 0 ] [ 0 0.254962 0 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "As" "As" "As" ] } "a" { "source-value" 6.26306785897 "source-unit" "angstrom" } "c" { "source-value" 3.45002379 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.62428946111111 "source-unit" "eV" } }