{ "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" [ [ 0.333333 0.666667 0.06063 ] [ 0.666667 0.333333 0.56063 ] [ 0.666667 0.333333 0.93937 ] [ 0.333333 0.666667 0.43937 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.829886 0.659771 0.25 ] [ 0.170114 0.829886 0.75 ] [ 0.659771 0.829886 0.75 ] [ 0.340229 0.170114 0.25 ] [ 0.829886 0.170114 0.25 ] [ 0.170114 0.340229 0.75 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.14446650254 "source-unit" "angstrom" } "c" { "source-value" 6.75945468 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.797806424166667 "source-unit" "eV" } }