{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.618187 0 0 ] [ 0.381813 0.381813 0 ] [ 0 0.618187 0 ] [ 0 0.287073 0 ] [ 0.712927 0.712927 0 ] [ 0.287073 0 0 ] [ 0.876669 0 0.5 ] [ 0 0.876669 0.5 ] [ 0.123331 0.123331 0.5 ] [ 0.779683 0.316317 0.5 ] [ 0.683683 0.463366 0.5 ] [ 0.316317 0.779683 0.5 ] [ 0.220317 0.536634 0.5 ] [ 0.463366 0.683683 0.5 ] [ 0.536634 0.220317 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" ] } "a" { "source-value" 11.4503479669 "source-unit" "angstrom" } "c" { "source-value" 3.9204665 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.784793881111111 "source-unit" "eV" } }