{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.279544 0.981399 0.5 ] [ 0.018601 0.298145 0.5 ] [ 0.701855 0.720456 0.5 ] [ 0.380441 0.367046 0 ] [ 0.632954 0.013394 0 ] [ 0.986606 0.619559 0 ] [ 0.333333 0.666667 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.111107 0.914432 0 ] [ 0.137 0.584067 0.5 ] [ 0.085568 0.196675 0 ] [ 0.447067 0.863 0.5 ] [ 0.415933 0.552933 0.5 ] [ 0.469794 0.255356 0.5 ] [ 0.803325 0.888893 0 ] [ 0.785562 0.530206 0.5 ] [ 0.744644 0.214438 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Cu" "Cu" "Cu" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.09532917 "source-unit" "angstrom" } "c" { "source-value" 3.05027662 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.282716817777778 "source-unit" "eV" } }