{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.688029 ] [ 0.666667 0.333333 0.311971 ] [ 0.333333 0.666667 0.812098 ] [ 0.333333 0.666667 0.187902 ] [ 0.500152 0.499848 0.249365 ] [ 0.500152 0.000305 0.249365 ] [ 0.999695 0.499848 0.750635 ] [ 0.500152 0.000305 0.750635 ] [ 0.666667 0.333333 0.5 ] [ 0.999695 0.499848 0.249365 ] [ 0.500152 0.499848 0.750635 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Ba" "Sr" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.99540586294 "source-unit" "angstrom" } "c" { "source-value" 10.03751527 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.092405506428571 "source-unit" "eV" } }