{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.94804 ] [ 0.333333 0.666667 0.818693 ] [ 0.333333 0.666667 0.552741 ] [ 0 0 0.696971 ] [ 0.666667 0.333333 0.183702 ] [ 0.333333 0.666667 0.055117 ] [ 0 0 0.340422 ] [ 0.666667 0.333333 0.384645 ] [ 0 0 0.001086 ] [ 0.666667 0.333333 0.638739 ] [ 0.333333 0.666667 0.352728 ] [ 0 0 0.502947 ] [ 0.165157 0.330313 0.932499 ] [ 0.98844 0.49422 0.706052 ] [ 0.165157 0.834843 0.932499 ] [ 0.50578 0.49422 0.706052 ] [ 0.50578 0.01156 0.706052 ] [ 0.669687 0.834843 0.932499 ] [ 0.691165 0.845583 0.426316 ] [ 0.839159 0.678319 0.570093 ] [ 0.839159 0.160841 0.570093 ] [ 0.154417 0.845583 0.426316 ] [ 0.154417 0.308835 0.426316 ] [ 0.321681 0.160841 0.570093 ] [ 0.504406 0.008813 0.304096 ] [ 0.330676 0.165338 0.069 ] [ 0.504406 0.495594 0.304096 ] [ 0.834662 0.165338 0.069 ] [ 0.991187 0.495594 0.304096 ] [ 0.834662 0.669324 0.069 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Dy" "Dy" "U" "U" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.99836083 "source-unit" "angstrom" } "c" { "source-value" 17.31818743 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.465675626333334 "source-unit" "eV" } }