{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.314678 0.374778 0.574184 ] [ 0.374778 0.314678 0.074184 ] [ 0.685322 0.0601 0.074184 ] [ 0.625222 0.685322 0.925816 ] [ 0.625222 0.9399 0.574184 ] [ 0.685322 0.625222 0.425816 ] [ 0.9399 0.314678 0.425816 ] [ 0.0601 0.685322 0.574184 ] [ 0.9399 0.625222 0.074184 ] [ 0.0601 0.374778 0.925816 ] [ 0.314678 0.9399 0.925816 ] [ 0.374778 0.0601 0.425816 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.350139 0.295089 0.864952 ] [ 0.295089 0.350139 0.364952 ] [ 0.704911 0.05505 0.864952 ] [ 0.704911 0.649861 0.635048 ] [ 0.649861 0.704911 0.135048 ] [ 0.649861 0.94495 0.364952 ] [ 0.05505 0.704911 0.364952 ] [ 0.05505 0.350139 0.135048 ] [ 0.94495 0.649861 0.864952 ] [ 0.94495 0.295089 0.635048 ] [ 0.350139 0.05505 0.635048 ] [ 0.295089 0.94495 0.135048 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.39449394 "source-unit" "angstrom" } "c" { "source-value" 9.76335818 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.597883068571428 "source-unit" "eV" } }