{ "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" [ [ 0.333333 0.666667 0.108364 ] [ 0 0 0.005458 ] [ 0 0 0.505458 ] [ 0.666667 0.333333 0.608364 ] [ 0.658458 0.829229 0.781463 ] [ 0.341542 0.170771 0.281463 ] [ 0.829229 0.658458 0.281463 ] [ 0.170771 0.341542 0.781463 ] [ 0.170771 0.829229 0.781463 ] [ 0.829229 0.170771 0.281463 ] [ 0.333333 0.666667 0.495947 ] [ 0.666667 0.333333 0.995947 ] [ 0.15464 0.309281 0.393658 ] [ 0.025072 0.512536 0.678566 ] [ 0.333333 0.666667 0.88805 ] [ 0 0 0.687097 ] [ 0 0 0.187097 ] [ 0.15464 0.84536 0.393658 ] [ 0.487464 0.512536 0.678566 ] [ 0.487464 0.974928 0.678566 ] [ 0.309281 0.15464 0.893658 ] [ 0.690719 0.84536 0.393658 ] [ 0.512536 0.025072 0.178566 ] [ 0.512536 0.487464 0.178566 ] [ 0.666667 0.333333 0.38805 ] [ 0.84536 0.15464 0.893658 ] [ 0.974928 0.487464 0.178566 ] [ 0.84536 0.690719 0.893658 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.99720939 "source-unit" "angstrom" } "c" { "source-value" 10.42422294 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.591818350714285 "source-unit" "eV" } }