{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_122" } "basis-atom-coordinates" { "source-value" [ [ 0.117096 0.058548 0.583333 ] [ 0.941452 0.058548 0.916667 ] [ 0.058548 0.117096 0.75 ] [ 0.941452 0.882904 0.25 ] [ 0.058548 0.941452 0.416667 ] [ 0.882904 0.941452 0.083333 ] [ 0.572156 0.286078 0.083333 ] [ 0.713922 0.286078 0.416667 ] [ 0.713922 0.427844 0.75 ] [ 0.286078 0.572156 0.25 ] [ 0.286078 0.713922 0.916667 ] [ 0.427844 0.713922 0.583333 ] [ 0.240928 0 0 ] [ 0.408467 0.109554 0.676315 ] [ 0.408467 0.298912 0.490351 ] [ 0.759072 0 0.5 ] [ 0.701088 0.109554 0.823685 ] [ 0.890446 0.298912 0.009649 ] [ 0 0.240928 0.333333 ] [ 0.701088 0.591533 0.342982 ] [ 0.240928 0.240928 0.166667 ] [ 0.890446 0.591533 0.157018 ] [ 0.109554 0.408467 0.657018 ] [ 0.759072 0.759072 0.666667 ] [ 0.298912 0.408467 0.842982 ] [ 0 0.759072 0.833333 ] [ 0.109554 0.701088 0.509649 ] [ 0.298912 0.890446 0.323685 ] [ 0.591533 0.701088 0.990351 ] [ 0.591533 0.890446 0.176315 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.05672828 "source-unit" "angstrom" } "c" { "source-value" 14.61170152 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.371267173666666 "source-unit" "eV" } }