{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.148826 ] [ 0.666667 0.333333 0.351174 ] [ 0.333333 0.666667 0.851174 ] [ 0.333333 0.666667 0.648826 ] [ 0.666667 0.333333 0.611416 ] [ 0.666667 0.333333 0.888584 ] [ 0.333333 0.666667 0.388584 ] [ 0.333333 0.666667 0.111416 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.80455969318 "source-unit" "angstrom" } "c" { "source-value" 20.37980372 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.637494582142857 "source-unit" "eV" } }