{ "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" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.85176 0.70352 0.75 ] [ 0.14824 0.85176 0.25 ] [ 0.70352 0.85176 0.25 ] [ 0.29648 0.14824 0.75 ] [ 0.14824 0.29648 0.25 ] [ 0.85176 0.14824 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Mn" "Mn" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.79242627152 "source-unit" "angstrom" } "c" { "source-value" 4.98507968 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.893899207 "source-unit" "eV" } }