{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.656179 0.656179 0 ] [ 0.343821 0.343821 0 ] [ 0 0.343821 0 ] [ 0.656179 0 0 ] [ 0 0.656179 0 ] [ 0.343821 0 0 ] [ 0.333333 0.666667 0.502516 ] [ 0 0 0 ] [ 0.666667 0.333333 0.497484 ] [ 0.787035 0.893517 0.786102 ] [ 0.434768 0.565232 0.746259 ] [ 0.533838 0.766919 0.263724 ] [ 0.106483 0.212965 0.786102 ] [ 0.233081 0.466162 0.263724 ] [ 0.434768 0.869537 0.746259 ] [ 0.893517 0.106483 0.213898 ] [ 0.233081 0.766919 0.263724 ] [ 0.130463 0.565232 0.746259 ] [ 0.869537 0.434768 0.253741 ] [ 0.766919 0.233081 0.736276 ] [ 0.106483 0.893517 0.786102 ] [ 0.565232 0.130463 0.253741 ] [ 0.893517 0.787035 0.213898 ] [ 0.766919 0.533838 0.736276 ] [ 0.466162 0.233081 0.736276 ] [ 0.565232 0.434768 0.253741 ] [ 0.212965 0.106483 0.213898 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 8.73601699 "source-unit" "angstrom" } "c" { "source-value" 4.53017552 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.325649441481482 "source-unit" "eV" } }