{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.141339 0.282678 0.967419 ] [ 0.462193 0.537807 0.634899 ] [ 0.717322 0.858661 0.967419 ] [ 0.075613 0.537807 0.634899 ] [ 0.462193 0.924387 0.634899 ] [ 0.858661 0.141339 0.467419 ] [ 0.141339 0.858661 0.967419 ] [ 0.537807 0.075613 0.134899 ] [ 0.924387 0.462193 0.134899 ] [ 0.282678 0.141339 0.467419 ] [ 0.537807 0.462193 0.134899 ] [ 0.858661 0.717322 0.467419 ] [ 0.333333 0.666667 0.243298 ] [ 0.666667 0.333333 0.743298 ] [ 0.186968 0.373937 0.357066 ] [ 0.626063 0.813032 0.357066 ] [ 0.333333 0.666667 0.906388 ] [ 0.186968 0.813032 0.357066 ] [ 0.813032 0.186968 0.857066 ] [ 0.373937 0.186968 0.857066 ] [ 0.666667 0.333333 0.406388 ] [ 0.813032 0.626063 0.857066 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.64865378 "source-unit" "angstrom" } "c" { "source-value" 5.87871955 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.9366837890909094 "source-unit" "eV" } }